5-propyldec-9-ene-3-thiol

C13H26S — CID 123198752

IUPAC5-propyldec-9-ene-3-thiol
SMILESC=CCCCC(CCC)CC(S)CC
InChIInChI=1S/C13H26S/c1-4-7-8-10-12(9-5-2)11-13(14)6-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyJQBZGSNLZVTZMQ-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.86
Rot. Bonds9

About 5-propyldec-9-ene-3-thiol

5-propyldec-9-ene-3-thiol (PubChem CID 123198752) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 5-propyldec-9-ene-3-thiol.

Molecular Properties

Compound Name5-propyldec-9-ene-3-thiol
PubChem CID123198752
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name5-propyldec-9-ene-3-thiol
SMILESC=CCCCC(CCC)CC(S)CC
InChIInChI=1S/C13H26S/c1-4-7-8-10-12(9-5-2)11-13(14)6-3/h4,12-14H,1,5-11H2,2-3H3
InChIKeyJQBZGSNLZVTZMQ-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

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(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
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3,11-Dimethyl-7-methylidenedodecane-1-thiol
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1-Decene-5-thiol
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Frequently Asked Questions

What is the IUPAC name of 5-propyldec-9-ene-3-thiol?
The IUPAC name of 5-propyldec-9-ene-3-thiol (CID 123198752) is 5-propyldec-9-ene-3-thiol.
What is the SMILES notation for 5-propyldec-9-ene-3-thiol?
The canonical SMILES for 5-propyldec-9-ene-3-thiol is C=CCCCC(CCC)CC(S)CC.
What is the InChIKey of 5-propyldec-9-ene-3-thiol?
The InChIKey is JQBZGSNLZVTZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-4-7-8-10-12(9-5-2)11-13(14)6-3/h4,12-14H,1,5-11H2,2-3H3.
What are the key properties of 5-propyldec-9-ene-3-thiol?
5-propyldec-9-ene-3-thiol has a molecular weight of 214.42 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyldec-9-ene-3-thiol is sourced from PubChem (CID 123198752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).