(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol

C13H12O — CID 14443153

IUPAC(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
SMILESCC#CC#CC#C/C=C/C=C/CCO
InChIInChI=1S/C13H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-11,14H,12-13H2,1H3/b9-8+,11-10+
InChIKeyPBVAKBKSUPEGQB-BNFZFUHLSA-N
MW184.24 g/mol
LogP1.51
Rot. Bonds3

About (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol

(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol (PubChem CID 14443153) has the molecular formula C13H12O and a molecular weight of 184.24 g/mol. Its IUPAC name is (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol.

Molecular Properties

Compound Name(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
PubChem CID14443153
Molecular FormulaC13H12O
Molecular Weight184.24 g/mol
Exact Mass184.09
IUPAC Name(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
SMILESCC#CC#CC#C/C=C/C=C/CCO
InChIInChI=1S/C13H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-11,14H,12-13H2,1H3/b9-8+,11-10+
InChIKeyPBVAKBKSUPEGQB-BNFZFUHLSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-trideca-3,5-dien-7,9,11-triyn-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

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol?
The IUPAC name of (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol (CID 14443153) is (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol.
What is the SMILES notation for (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol?
The canonical SMILES for (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol is CC#CC#CC#C/C=C/C=C/CCO.
What is the InChIKey of (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol?
The InChIKey is PBVAKBKSUPEGQB-BNFZFUHLSA-N. The full InChI is InChI=1S/C13H12O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-11,14H,12-13H2,1H3/b9-8+,11-10+.
What are the key properties of (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol?
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol is sourced from PubChem (CID 14443153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).