(3E,5E)-hepta-3,5-dien-2-ol

C7H12O — CID 11147686

IUPAC(3E,5E)-hepta-3,5-dien-2-ol
SMILESC/C=C/C=C/C(C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-8H,1-2H3/b4-3+,6-5+
InChIKeyHOYTUZSQPWVIAK-VNKDHWASSA-N
MW112.17 g/mol
LogP1.50
Rot. Bonds2

About (3E,5E)-hepta-3,5-dien-2-ol

(3E,5E)-hepta-3,5-dien-2-ol (PubChem CID 11147686) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is (3E,5E)-hepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(3E,5E)-hepta-3,5-dien-2-ol
PubChem CID11147686
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name(3E,5E)-hepta-3,5-dien-2-ol
SMILESC/C=C/C=C/C(C)O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-8H,1-2H3/b4-3+,6-5+
InChIKeyHOYTUZSQPWVIAK-VNKDHWASSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-hepta-3,5-dien-2-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)-hepta-3,5-dien-2-ol?
The IUPAC name of (3E,5E)-hepta-3,5-dien-2-ol (CID 11147686) is (3E,5E)-hepta-3,5-dien-2-ol.
What is the SMILES notation for (3E,5E)-hepta-3,5-dien-2-ol?
The canonical SMILES for (3E,5E)-hepta-3,5-dien-2-ol is C/C=C/C=C/C(C)O.
What is the InChIKey of (3E,5E)-hepta-3,5-dien-2-ol?
The InChIKey is HOYTUZSQPWVIAK-VNKDHWASSA-N. The full InChI is InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-8H,1-2H3/b4-3+,6-5+.
What are the key properties of (3E,5E)-hepta-3,5-dien-2-ol?
(3E,5E)-hepta-3,5-dien-2-ol has a molecular weight of 112.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-hepta-3,5-dien-2-ol is sourced from PubChem (CID 11147686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).