2,6,8,12-tetramethyltrideca-2,4-dien-1-ol

C17H32O — CID 74976816

IUPAC2,6,8,12-tetramethyltrideca-2,4-dien-1-ol
SMILESCC(=CC=CC(C)CC(C)CCCC(C)C)CO
InChIInChI=1S/C17H32O/c1-14(2)8-6-9-15(3)12-16(4)10-7-11-17(5)13-18/h7,10-11,14-16,18H,6,8-9,12-13H2,1-5H3
InChIKeyLLOCFLMXYHTSSX-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.97
Rot. Bonds9

About 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol

2,6,8,12-tetramethyltrideca-2,4-dien-1-ol (PubChem CID 74976816) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol.

Molecular Properties

Compound Name2,6,8,12-tetramethyltrideca-2,4-dien-1-ol
PubChem CID74976816
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name2,6,8,12-tetramethyltrideca-2,4-dien-1-ol
SMILESCC(=CC=CC(C)CC(C)CCCC(C)C)CO
InChIInChI=1S/C17H32O/c1-14(2)8-6-9-15(3)12-16(4)10-7-11-17(5)13-18/h7,10-11,14-16,18H,6,8-9,12-13H2,1-5H3
InChIKeyLLOCFLMXYHTSSX-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Retinol
CID 445354
Phytol
CID 5280435
13-cis-Retinol
CID 9904001
3,7,11,15-Tetramethyl-2-hexadecen-1-OL
CID 5366244
9-cis-Retinol
CID 9947823
11-cis-Retinol
CID 5280382
13,14-Dihydroretinol
CID 446798
Flavuxanthin
CID 122706041
Phytol, (Z)-
CID 6430833
2,2'-Bis-(4-hydroxy-3-methybut-2-enyl)-beta,beta-carotene
CID 87443475
Nonaflavuxanthin
CID 102303871
Sarcophytol A
CID 5284454

Frequently Asked Questions

What is the IUPAC name of 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol?
The IUPAC name of 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol (CID 74976816) is 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol.
What is the SMILES notation for 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol?
The canonical SMILES for 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol is CC(=CC=CC(C)CC(C)CCCC(C)C)CO.
What is the InChIKey of 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol?
The InChIKey is LLOCFLMXYHTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-14(2)8-6-9-15(3)12-16(4)10-7-11-17(5)13-18/h7,10-11,14-16,18H,6,8-9,12-13H2,1-5H3.
What are the key properties of 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol?
2,6,8,12-tetramethyltrideca-2,4-dien-1-ol has a molecular weight of 252.44 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,12-tetramethyltrideca-2,4-dien-1-ol is sourced from PubChem (CID 74976816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).