AB44293
2987-16-8 | 3,3-Dimethylbutanal
Manufacturer: A2B Chem
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CatalogNumber
AB44293
ChemicalName
3,3-Dimethylbutanal
CasNumber
2987-16-8
MolecularFormula
C6H12O
MolecularWeight
100.1589
MdlNumber
MFCD00042807
Smiles
O=CCC(C)(C)C
Complexity
59.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AB44293
ChemicalName: 3,3-Dimethylbutanal
CasNumber: 2987-16-8
MolecularFormula: C6H12O
MolecularWeight: 100.1589
MdlNumber: MFCD00042807
Smiles: O=CCC(C)(C)C
Complexity: 59.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB44293
ChemicalName:
3,3-Dimethylbutanal
CasNumber:
2987-16-8
MolecularFormula:
C6H12O
MolecularWeight:
100.1589
MdlNumber:
MFCD00042807
Smiles:
O=CCC(C)(C)C
Complexity:
59.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
CatalogNumber: AB44294
ChemicalName: 3,3-Dimethylpiperidin-4-ol
CasNumber: 373603-88-4
MolecularFormula: C7H15NO
MolecularWeight: 129.2001
MdlNumber: MFCD11044222
Smiles: OC1CCNCC1(C)C
Complexity: 101
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AB44294
ChemicalName:
3,3-Dimethylpiperidin-4-ol
CasNumber:
373603-88-4
MolecularFormula:
C7H15NO
MolecularWeight:
129.2001
MdlNumber:
MFCD11044222
Smiles:
OC1CCNCC1(C)C
Complexity:
101
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(c1ccccc1)c1ccccc1
Complexity: 219
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(c1ccccc1)c1ccccc1
Complexity:
219
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCC(c1ccccc1)c1ccccc1
Complexity: 160
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCC(c1ccccc1)c1ccccc1
Complexity:
160
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1