2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol

C20H40O — CID 123375976

IUPAC2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol
SMILESCC(C)(C)CC(C)(C)C=CCCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C20H40O/c1-17(2,3)14-18(4,5)12-10-11-13-19(6,7)15-20(8,9)16-21/h10,12,21H,11,13-16H2,1-9H3
InChIKeyGDCCBUMPWMXFQM-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.22
Rot. Bonds8

About 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol

2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol (PubChem CID 123375976) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol.

Molecular Properties

Compound Name2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol
PubChem CID123375976
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol
SMILESCC(C)(C)CC(C)(C)C=CCCC(C)(C)CC(C)(C)CO
InChIInChI=1S/C20H40O/c1-17(2,3)14-18(4,5)12-10-11-13-19(6,7)15-20(8,9)16-21/h10,12,21H,11,13-16H2,1-9H3
InChIKeyGDCCBUMPWMXFQM-UHFFFAOYSA-N
XLogP6.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol
CID 123533922
2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
(E)-4,4,6,6-tetramethylhept-2-ene
CID 20870209
2,2,4,4-tetramethyl-5-sulfanylpentan-1-ol
CID 88863365
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
4-[dimethyl(2,4,4-trimethylpentan-2-yl)silyl]-2,2,4-trimethylpentan-1-ol
CID 91130970
2,2,4,4,6,6,8,8-octamethylnonane-1,5-diol
CID 91435713
(Z)-2,2,4,4,7,7,9,9-octamethyldec-5-enoic acid
CID 88560041
2,2-dimethylhept-6-en-1-ol
CID 12063159
3,3,5,5-tetramethylnona-1,8-diene
CID 91102311
2-[[(Z)-2,4,4,7,7,9,9-heptamethyldec-5-en-2-yl]amino]ethanol
CID 146601894

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol?
The IUPAC name of 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol (CID 123375976) is 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol.
What is the SMILES notation for 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol?
The canonical SMILES for 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol is CC(C)(C)CC(C)(C)C=CCCC(C)(C)CC(C)(C)CO.
What is the InChIKey of 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol?
The InChIKey is GDCCBUMPWMXFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-17(2,3)14-18(4,5)12-10-11-13-19(6,7)15-20(8,9)16-21/h10,12,21H,11,13-16H2,1-9H3.
What are the key properties of 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol?
2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol has a molecular weight of 296.54 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,9,9,11,11-octamethyldodec-7-en-1-ol is sourced from PubChem (CID 123375976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).