(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol

C7H12OS — CID 11040823

IUPAC(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
SMILESCS/C=C/C=C/CCO
InChIInChI=1S/C7H12OS/c1-9-7-5-3-2-4-6-8/h2-3,5,7-8H,4,6H2,1H3/b3-2+,7-5+
InChIKeySZZODKXCBVIHGY-QGZVWANCSA-N
MW144.24 g/mol
LogP1.80
Rot. Bonds4

About (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol

(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol (PubChem CID 11040823) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
PubChem CID11040823
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
SMILESCS/C=C/C=C/CCO
InChIInChI=1S/C7H12OS/c1-9-7-5-3-2-4-6-8/h2-3,5,7-8H,4,6H2,1H3/b3-2+,7-5+
InChIKeySZZODKXCBVIHGY-QGZVWANCSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-methylsulfanylhexa-3,5-dien-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)-6-methylsulfanylhexa-3,5-dien-1-ol?
The IUPAC name of (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol (CID 11040823) is (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol?
The canonical SMILES for (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol is CS/C=C/C=C/CCO.
What is the InChIKey of (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol?
The InChIKey is SZZODKXCBVIHGY-QGZVWANCSA-N. The full InChI is InChI=1S/C7H12OS/c1-9-7-5-3-2-4-6-8/h2-3,5,7-8H,4,6H2,1H3/b3-2+,7-5+.
What are the key properties of (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol?
(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol has a molecular weight of 144.24 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol is sourced from PubChem (CID 11040823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).