14-sulfanyltetradec-8-en-1-ol

C14H28OS — CID 54161789

IUPAC14-sulfanyltetradec-8-en-1-ol
SMILESOCCCCCCCC=CCCCCCS
InChIInChI=1S/C14H28OS/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h2,4,15-16H,1,3,5-14H2
InChIKeyOOXYSKQLGROAFD-UHFFFAOYSA-N
MW244.44 g/mol
LogP4.37
Rot. Bonds12

About 14-sulfanyltetradec-8-en-1-ol

14-sulfanyltetradec-8-en-1-ol (PubChem CID 54161789) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is 14-sulfanyltetradec-8-en-1-ol.

Molecular Properties

Compound Name14-sulfanyltetradec-8-en-1-ol
PubChem CID54161789
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name14-sulfanyltetradec-8-en-1-ol
SMILESOCCCCCCCC=CCCCCCS
InChIInChI=1S/C14H28OS/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h2,4,15-16H,1,3,5-14H2
InChIKeyOOXYSKQLGROAFD-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 14-sulfanyltetradec-8-en-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 14-sulfanyltetradec-8-en-1-ol?
The IUPAC name of 14-sulfanyltetradec-8-en-1-ol (CID 54161789) is 14-sulfanyltetradec-8-en-1-ol.
What is the SMILES notation for 14-sulfanyltetradec-8-en-1-ol?
The canonical SMILES for 14-sulfanyltetradec-8-en-1-ol is OCCCCCCCC=CCCCCCS.
What is the InChIKey of 14-sulfanyltetradec-8-en-1-ol?
The InChIKey is OOXYSKQLGROAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OS/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h2,4,15-16H,1,3,5-14H2.
What are the key properties of 14-sulfanyltetradec-8-en-1-ol?
14-sulfanyltetradec-8-en-1-ol has a molecular weight of 244.44 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-sulfanyltetradec-8-en-1-ol is sourced from PubChem (CID 54161789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).