AB79332
186020-66-6 | tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate
Manufacturer: A2B Chem
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CatalogNumber
AB79332
ChemicalName
tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate
CasNumber
186020-66-6
MolecularFormula
C13H26O6
MolecularWeight
278.3419
MdlNumber
MFCD03791106
Smiles
OCCOCCOCCOCCC(=O)OC(C)(C)C
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
13
Xlogp3
-0.1
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CatalogNumber: AB79332
ChemicalName: tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate
CasNumber: 186020-66-6
MolecularFormula: C13H26O6
MolecularWeight: 278.3419
MdlNumber: MFCD03791106
Smiles: OCCOCCOCCOCCC(=O)OC(C)(C)C
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 13
Xlogp3: -0.1
CatalogNumber:
AB79332
ChemicalName:
tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate
CasNumber:
186020-66-6
MolecularFormula:
C13H26O6
MolecularWeight:
278.3419
MdlNumber:
MFCD03791106
Smiles:
OCCOCCOCCOCCC(=O)OC(C)(C)C
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
13
Xlogp3:
-0.1
CatalogNumber: AB79333
ChemicalName: tert-Butyl 1H-Pyrazole-1-carboxylate
CasNumber: 219580-32-2
MolecularFormula: C8H12N2O2
MolecularWeight: 168.19308
MdlNumber: MFCD00800729
Smiles: O=C(n1cccn1)OC(C)(C)C
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AB79333
ChemicalName:
tert-Butyl 1H-Pyrazole-1-carboxylate
CasNumber:
219580-32-2
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.19308
MdlNumber:
MFCD00800729
Smiles:
O=C(n1cccn1)OC(C)(C)C
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1Cc2ccccc2C2(C1)CCNCC2)OC(C)(C)C
Complexity: 410
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1Cc2ccccc2C2(C1)CCNCC2)OC(C)(C)C
Complexity:
410
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(CC(=O)OC(C)(C)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(CC(=O)OC(C)(C)C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__