8-prop-2-enylsulfanyloctan-4-ol

C11H22OS — CID 87533158

IUPAC8-prop-2-enylsulfanyloctan-4-ol
SMILESC=CCSCCCCC(O)CCC
InChIInChI=1S/C11H22OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyZOVTZWIBSXSSDP-UHFFFAOYSA-N
MW202.36 g/mol
LogP3.24
Rot. Bonds9

About 8-prop-2-enylsulfanyloctan-4-ol

8-prop-2-enylsulfanyloctan-4-ol (PubChem CID 87533158) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is 8-prop-2-enylsulfanyloctan-4-ol.

Molecular Properties

Compound Name8-prop-2-enylsulfanyloctan-4-ol
PubChem CID87533158
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name8-prop-2-enylsulfanyloctan-4-ol
SMILESC=CCSCCCCC(O)CCC
InChIInChI=1S/C11H22OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h4,11-12H,2-3,5-10H2,1H3
InChIKeyZOVTZWIBSXSSDP-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-prop-2-enylsulfanyloctan-4-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 8-prop-2-enylsulfanyloctan-4-ol?
The IUPAC name of 8-prop-2-enylsulfanyloctan-4-ol (CID 87533158) is 8-prop-2-enylsulfanyloctan-4-ol.
What is the SMILES notation for 8-prop-2-enylsulfanyloctan-4-ol?
The canonical SMILES for 8-prop-2-enylsulfanyloctan-4-ol is C=CCSCCCCC(O)CCC.
What is the InChIKey of 8-prop-2-enylsulfanyloctan-4-ol?
The InChIKey is ZOVTZWIBSXSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-7-11(12)8-5-6-10-13-9-4-2/h4,11-12H,2-3,5-10H2,1H3.
What are the key properties of 8-prop-2-enylsulfanyloctan-4-ol?
8-prop-2-enylsulfanyloctan-4-ol has a molecular weight of 202.36 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfanyloctan-4-ol is sourced from PubChem (CID 87533158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).