8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol

C20H40O — CID 123533922

IUPAC8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol
SMILESCCC(C)(CC=CC(C)(C)CC(C)(C)CO)CC(C)(C)C
InChIInChI=1S/C20H40O/c1-10-20(9,14-17(2,3)4)13-11-12-18(5,6)15-19(7,8)16-21/h11-12,21H,10,13-16H2,1-9H3
InChIKeyGCASAJYXJBRJSM-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.22
Rot. Bonds8

About 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol

8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol (PubChem CID 123533922) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol.

Molecular Properties

Compound Name8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol
PubChem CID123533922
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol
SMILESCCC(C)(CC=CC(C)(C)CC(C)(C)CO)CC(C)(C)C
InChIInChI=1S/C20H40O/c1-10-20(9,14-17(2,3)4)13-11-12-18(5,6)15-19(7,8)16-21/h11-12,21H,10,13-16H2,1-9H3
InChIKeyGCASAJYXJBRJSM-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

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(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
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2,2,4,4,7,7,9,9-octamethyldec-5-ene
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(E)-2,2-dimethylhept-3-en-1-ol
CID 130125025
sodium;2,2-dimethylbutan-1-ol;hydride
CID 174392130
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
2,9-diethyl-2,9-dimethyldecane-1,10-diol
CID 3069679
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CID 3069683

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol?
The IUPAC name of 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol (CID 123533922) is 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol.
What is the SMILES notation for 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol?
The canonical SMILES for 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol is CCC(C)(CC=CC(C)(C)CC(C)(C)CO)CC(C)(C)C.
What is the InChIKey of 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol?
The InChIKey is GCASAJYXJBRJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-10-20(9,14-17(2,3)4)13-11-12-18(5,6)15-19(7,8)16-21/h11-12,21H,10,13-16H2,1-9H3.
What are the key properties of 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol?
8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-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 8-ethyl-2,2,4,4,8,10,10-heptamethylundec-5-en-1-ol is sourced from PubChem (CID 123533922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).