(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol

C15H26O2 — CID 102599722

IUPAC(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol
SMILESC/C(=C\C=C\CCCCO)C/C(C)=C/CCO
InChIInChI=1S/C15H26O2/c1-14(13-15(2)10-8-12-17)9-6-4-3-5-7-11-16/h4,6,9-10,16-17H,3,5,7-8,11-13H2,1-2H3/b6-4+,14-9+,15-10+
InChIKeyYUQVGCHUPFDGNN-GDYBBUEGSA-N
MW238.37 g/mol
LogP3.37
Rot. Bonds9

About (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol

(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol (PubChem CID 102599722) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol.

Molecular Properties

Compound Name(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol
PubChem CID102599722
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol
SMILESC/C(=C\C=C\CCCCO)C/C(C)=C/CCO
InChIInChI=1S/C15H26O2/c1-14(13-15(2)10-8-12-17)9-6-4-3-5-7-11-16/h4,6,9-10,16-17H,3,5,7-8,11-13H2,1-2H3/b6-4+,14-9+,15-10+
InChIKeyYUQVGCHUPFDGNN-GDYBBUEGSA-N
XLogP3.37
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol 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

5-Decen-1-ol, (5E)-
CID 5283292
5-Octen-1-ol, (5Z)-
CID 5352837
5-Decen-1-ol, (5Z)-
CID 5365622
5,10-Pentadecadien-1-ol
CID 6536885
7-Methyl-3-methylene-6-Octen-1-ol
CID 518689
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
5,7-Dodecadien-1-ol
CID 5283274
(5E,7Z)-dodeca-5,7-dien-1-ol
CID 5365647
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097
Nonadien-1-ol
CID 112657
(4E,6E,10R)-10-methoxy-7-methyltrideca-4,6,12-trien-1-ol
CID 10922612
3,6,8-Dodecatrien-1-ol
CID 5283307

Frequently Asked Questions

What is the IUPAC name of (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol?
The IUPAC name of (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol (CID 102599722) is (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol.
What is the SMILES notation for (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol?
The canonical SMILES for (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol is C/C(=C\C=C\CCCCO)C/C(C)=C/CCO.
What is the InChIKey of (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol?
The InChIKey is YUQVGCHUPFDGNN-GDYBBUEGSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(13-15(2)10-8-12-17)9-6-4-3-5-7-11-16/h4,6,9-10,16-17H,3,5,7-8,11-13H2,1-2H3/b6-4+,14-9+,15-10+.
What are the key properties of (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol?
(3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol has a molecular weight of 238.37 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,8E)-4,6-dimethyltrideca-3,6,8-triene-1,13-diol is sourced from PubChem (CID 102599722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).