AB43526
1118-71-4 | 2,2,6,6-Tetramethyl-3,5-heptanedione
Manufacturer: A2B Chem
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CatalogNumber
AB43526
ChemicalName
2,2,6,6-Tetramethyl-3,5-heptanedione
CasNumber
1118-71-4
MolecularFormula
C11H20O2
MolecularWeight
184.2753
MdlNumber
MFCD00008848
Smiles
O=C(C(C)(C)C)CC(=O)C(C)(C)C
NscNumber
174296
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AB43526
ChemicalName: 2,2,6,6-Tetramethyl-3,5-heptanedione
CasNumber: 1118-71-4
MolecularFormula: C11H20O2
MolecularWeight: 184.2753
MdlNumber: MFCD00008848
Smiles: O=C(C(C)(C)C)CC(=O)C(C)(C)C
NscNumber: 174296
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AB43526
ChemicalName:
2,2,6,6-Tetramethyl-3,5-heptanedione
CasNumber:
1118-71-4
MolecularFormula:
C11H20O2
MolecularWeight:
184.2753
MdlNumber:
MFCD00008848
Smiles:
O=C(C(C)(C)C)CC(=O)C(C)(C)C
NscNumber:
174296
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(cc(n1)C)c1cc(C)nc(c1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(cc(n1)C)c1cc(C)nc(c1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(C)(C)NC(C1)(C)C
NscNumber: __
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(C)(C)NC(C1)(C)C
NscNumber:
__
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)CCCC(N1)(C)C
NscNumber: __
Complexity: 111
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)CCCC(N1)(C)C
NscNumber:
__
Complexity:
111
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1