2,4,6,12-tetramethylheptadecan-9-ol

C21H44O — CID 140668394

IUPAC2,4,6,12-tetramethylheptadecan-9-ol
SMILESCCCCCC(C)CCC(O)CCC(C)CC(C)CC(C)C
InChIInChI=1S/C21H44O/c1-7-8-9-10-18(4)11-13-21(22)14-12-19(5)16-20(6)15-17(2)3/h17-22H,7-16H2,1-6H3
InChIKeyMGVDKRQULGURNM-UHFFFAOYSA-N
MW312.58 g/mol
LogP6.83
Rot. Bonds14

About 2,4,6,12-tetramethylheptadecan-9-ol

2,4,6,12-tetramethylheptadecan-9-ol (PubChem CID 140668394) has the molecular formula C21H44O and a molecular weight of 312.58 g/mol. Its IUPAC name is 2,4,6,12-tetramethylheptadecan-9-ol.

Molecular Properties

Compound Name2,4,6,12-tetramethylheptadecan-9-ol
PubChem CID140668394
Molecular FormulaC21H44O
Molecular Weight312.58 g/mol
Exact Mass312.34
IUPAC Name2,4,6,12-tetramethylheptadecan-9-ol
SMILESCCCCCC(C)CCC(O)CCC(C)CC(C)CC(C)C
InChIInChI=1S/C21H44O/c1-7-8-9-10-18(4)11-13-21(22)14-12-19(5)16-20(6)15-17(2)3/h17-22H,7-16H2,1-6H3
InChIKeyMGVDKRQULGURNM-UHFFFAOYSA-N
XLogP6.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.58
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 141213214
2,4,8-trimethyloctacosane
CID 91751081
2,4,6,10-tetramethyltetradecane
CID 123234776
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
11-methylnonadecan-7-ol
CID 87923390
15,19,21-trimethylheptatriacontane
CID 20837834
5,15,17-trimethylpentatriacontane
CID 172565406
5,7,10-trimethyltetradecane
CID 91033593
6,8-dimethylhexadecane
CID 91185725
2,24,26-trimethyldotetracontane
CID 91249721
(4S)-2-methylnonan-4-ol
CID 86308805

Frequently Asked Questions

What is the IUPAC name of 2,4,6,12-tetramethylheptadecan-9-ol?
The IUPAC name of 2,4,6,12-tetramethylheptadecan-9-ol (CID 140668394) is 2,4,6,12-tetramethylheptadecan-9-ol.
What is the SMILES notation for 2,4,6,12-tetramethylheptadecan-9-ol?
The canonical SMILES for 2,4,6,12-tetramethylheptadecan-9-ol is CCCCCC(C)CCC(O)CCC(C)CC(C)CC(C)C.
What is the InChIKey of 2,4,6,12-tetramethylheptadecan-9-ol?
The InChIKey is MGVDKRQULGURNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O/c1-7-8-9-10-18(4)11-13-21(22)14-12-19(5)16-20(6)15-17(2)3/h17-22H,7-16H2,1-6H3.
What are the key properties of 2,4,6,12-tetramethylheptadecan-9-ol?
2,4,6,12-tetramethylheptadecan-9-ol has a molecular weight of 312.58 g/mol, XLogP of 6.83, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,12-tetramethylheptadecan-9-ol is sourced from PubChem (CID 140668394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).