3,7,11-trimethyldodeca-1,2,6-trien-1-ol

C15H26O — CID 176539345

IUPAC3,7,11-trimethyldodeca-1,2,6-trien-1-ol
SMILESCC(=C=CO)CCC=C(C)CCCC(C)C
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyYRTBZQHALNTMDA-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.16
Rot. Bonds7

About 3,7,11-trimethyldodeca-1,2,6-trien-1-ol

3,7,11-trimethyldodeca-1,2,6-trien-1-ol (PubChem CID 176539345) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-1,2,6-trien-1-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-1,2,6-trien-1-ol
PubChem CID176539345
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3,7,11-trimethyldodeca-1,2,6-trien-1-ol
SMILESCC(=C=CO)CCC=C(C)CCCC(C)C
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h9,12-13,16H,5-8,10H2,1-4H3
InChIKeyYRTBZQHALNTMDA-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,7,11-trimethyldodeca-1,2,6-trien-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

magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
1-chloro-4,8-dimethylnon-3-ene
CID 83163373
6,10-dimethylundec-5-en-2-ol
CID 57253097
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
(E)-4,8-dimethylnon-3-ene
CID 22743489
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
4,9-dimethyldec-3-ene
CID 91170380
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
1,2-dihydroxy-7,11,15,19-tetramethylicos-6-en-3-one
CID 175351685

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-1,2,6-trien-1-ol?
The IUPAC name of 3,7,11-trimethyldodeca-1,2,6-trien-1-ol (CID 176539345) is 3,7,11-trimethyldodeca-1,2,6-trien-1-ol.
What is the SMILES notation for 3,7,11-trimethyldodeca-1,2,6-trien-1-ol?
The canonical SMILES for 3,7,11-trimethyldodeca-1,2,6-trien-1-ol is CC(=C=CO)CCC=C(C)CCCC(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-1,2,6-trien-1-ol?
The InChIKey is YRTBZQHALNTMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h9,12-13,16H,5-8,10H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-1,2,6-trien-1-ol?
3,7,11-trimethyldodeca-1,2,6-trien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-1,2,6-trien-1-ol is sourced from PubChem (CID 176539345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).