12,12-dimethyltrideca-1,3,5-trien-1-ol

C15H26O — CID 140507616

IUPAC12,12-dimethyltrideca-1,3,5-trien-1-ol
SMILESCC(C)(C)CCCCCC=CC=CC=CO
InChIInChI=1S/C15H26O/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4,6,8,10,12,14,16H,5,7,9,11,13H2,1-3H3
InChIKeyRLWOUUWPCLQFFL-UHFFFAOYSA-N
MW222.37 g/mol
LogP5.17
Rot. Bonds7

About 12,12-dimethyltrideca-1,3,5-trien-1-ol

12,12-dimethyltrideca-1,3,5-trien-1-ol (PubChem CID 140507616) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 12,12-dimethyltrideca-1,3,5-trien-1-ol.

Molecular Properties

Compound Name12,12-dimethyltrideca-1,3,5-trien-1-ol
PubChem CID140507616
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name12,12-dimethyltrideca-1,3,5-trien-1-ol
SMILESCC(C)(C)CCCCCC=CC=CC=CO
InChIInChI=1S/C15H26O/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4,6,8,10,12,14,16H,5,7,9,11,13H2,1-3H3
InChIKeyRLWOUUWPCLQFFL-UHFFFAOYSA-N
XLogP5.17
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 ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12,12-dimethyltrideca-1,3,5-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

(1E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 173206740
(2E,4E)-10,10-dimethylundeca-2,4-diene
CID 166042308
(1E,3E,5E)-pentadeca-1,3,5-trien-1-ol
CID 18352229
(1E,3E,5E,7Z,9Z,11E)-docosa-1,3,5,7,9,11-hexaen-1-ol
CID 87558928
(1E,3E,5Z)-octadeca-1,3,5-trien-1-ol
CID 90419850
(1E)-octadeca-1,3,5-trien-1-ol
CID 175012248
(2E,4E)-12,12-dimethyltrideca-2,4-dienoic acid
CID 151728816
(1Z,3Z)-undeca-1,3-dien-1-ol
CID 86738537
tetradeca-1,3-dien-1-ol
CID 73437176
dodeca-1,3,10-trien-1-ol
CID 173156092
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(1E)-octa-1,3-dien-1-ol
CID 154003406

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyltrideca-1,3,5-trien-1-ol?
The IUPAC name of 12,12-dimethyltrideca-1,3,5-trien-1-ol (CID 140507616) is 12,12-dimethyltrideca-1,3,5-trien-1-ol.
What is the SMILES notation for 12,12-dimethyltrideca-1,3,5-trien-1-ol?
The canonical SMILES for 12,12-dimethyltrideca-1,3,5-trien-1-ol is CC(C)(C)CCCCCC=CC=CC=CO.
What is the InChIKey of 12,12-dimethyltrideca-1,3,5-trien-1-ol?
The InChIKey is RLWOUUWPCLQFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14-16/h4,6,8,10,12,14,16H,5,7,9,11,13H2,1-3H3.
What are the key properties of 12,12-dimethyltrideca-1,3,5-trien-1-ol?
12,12-dimethyltrideca-1,3,5-trien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyltrideca-1,3,5-trien-1-ol is sourced from PubChem (CID 140507616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).