4,8,12-trimethyltetradeca-9,11-dien-1-ol

C17H32O — CID 90722146

IUPAC4,8,12-trimethyltetradeca-9,11-dien-1-ol
SMILESCCC(C)=CC=CC(C)CCCC(C)CCCO
InChIInChI=1S/C17H32O/c1-5-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18/h6,9-10,16-18H,5,7-8,11-14H2,1-4H3
InChIKeyUCZNMWJZDFCMMK-UHFFFAOYSA-N
MW252.44 g/mol
LogP5.11
Rot. Bonds10

About 4,8,12-trimethyltetradeca-9,11-dien-1-ol

4,8,12-trimethyltetradeca-9,11-dien-1-ol (PubChem CID 90722146) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 4,8,12-trimethyltetradeca-9,11-dien-1-ol.

Molecular Properties

Compound Name4,8,12-trimethyltetradeca-9,11-dien-1-ol
PubChem CID90722146
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name4,8,12-trimethyltetradeca-9,11-dien-1-ol
SMILESCCC(C)=CC=CC(C)CCCC(C)CCCO
InChIInChI=1S/C17H32O/c1-5-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18/h6,9-10,16-18H,5,7-8,11-14H2,1-4H3
InChIKeyUCZNMWJZDFCMMK-UHFFFAOYSA-N
XLogP5.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,8,12-trimethyltetradeca-9,11-dien-1-ol?
The IUPAC name of 4,8,12-trimethyltetradeca-9,11-dien-1-ol (CID 90722146) is 4,8,12-trimethyltetradeca-9,11-dien-1-ol.
What is the SMILES notation for 4,8,12-trimethyltetradeca-9,11-dien-1-ol?
The canonical SMILES for 4,8,12-trimethyltetradeca-9,11-dien-1-ol is CCC(C)=CC=CC(C)CCCC(C)CCCO.
What is the InChIKey of 4,8,12-trimethyltetradeca-9,11-dien-1-ol?
The InChIKey is UCZNMWJZDFCMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-5-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18/h6,9-10,16-18H,5,7-8,11-14H2,1-4H3.
What are the key properties of 4,8,12-trimethyltetradeca-9,11-dien-1-ol?
4,8,12-trimethyltetradeca-9,11-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,12-trimethyltetradeca-9,11-dien-1-ol is sourced from PubChem (CID 90722146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).