(E)-14-sulfanyltetradec-8-en-1-ol

C14H28OS — CID 23454234

IUPAC(E)-14-sulfanyltetradec-8-en-1-ol
SMILESOCCCCCCC/C=C/CCCCCS
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/b4-2+
InChIKeyOOXYSKQLGROAFD-DUXPYHPUSA-N
MW244.44 g/mol
LogP4.37
Rot. Bonds12

About (E)-14-sulfanyltetradec-8-en-1-ol

(E)-14-sulfanyltetradec-8-en-1-ol (PubChem CID 23454234) has the molecular formula C14H28OS and a molecular weight of 244.44 g/mol. Its IUPAC name is (E)-14-sulfanyltetradec-8-en-1-ol.

Molecular Properties

Compound Name(E)-14-sulfanyltetradec-8-en-1-ol
PubChem CID23454234
Molecular FormulaC14H28OS
Molecular Weight244.44 g/mol
Exact Mass244.19
IUPAC Name(E)-14-sulfanyltetradec-8-en-1-ol
SMILESOCCCCCCC/C=C/CCCCCS
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/b4-2+
InChIKeyOOXYSKQLGROAFD-DUXPYHPUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-14-sulfanyltetradec-8-en-1-ol?
The IUPAC name of (E)-14-sulfanyltetradec-8-en-1-ol (CID 23454234) is (E)-14-sulfanyltetradec-8-en-1-ol.
What is the SMILES notation for (E)-14-sulfanyltetradec-8-en-1-ol?
The canonical SMILES for (E)-14-sulfanyltetradec-8-en-1-ol is OCCCCCCC/C=C/CCCCCS.
What is the InChIKey of (E)-14-sulfanyltetradec-8-en-1-ol?
The InChIKey is OOXYSKQLGROAFD-DUXPYHPUSA-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/b4-2+.
What are the key properties of (E)-14-sulfanyltetradec-8-en-1-ol?
(E)-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 (E)-14-sulfanyltetradec-8-en-1-ol is sourced from PubChem (CID 23454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).