5-propyloct-7-ene-2-thiol

C11H22S — CID 123172484

IUPAC5-propyloct-7-ene-2-thiol
SMILESC=CCC(CCC)CCC(C)S
InChIInChI=1S/C11H22S/c1-4-6-11(7-5-2)9-8-10(3)12/h4,10-12H,1,5-9H2,2-3H3
InChIKeyBYNWFULPCRAXJW-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.08
Rot. Bonds7

About 5-propyloct-7-ene-2-thiol

5-propyloct-7-ene-2-thiol (PubChem CID 123172484) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 5-propyloct-7-ene-2-thiol.

Molecular Properties

Compound Name5-propyloct-7-ene-2-thiol
PubChem CID123172484
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name5-propyloct-7-ene-2-thiol
SMILESC=CCC(CCC)CCC(C)S
InChIInChI=1S/C11H22S/c1-4-6-11(7-5-2)9-8-10(3)12/h4,10-12H,1,5-9H2,2-3H3
InChIKeyBYNWFULPCRAXJW-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
CID 163638496
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
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1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-Allylcyclohexanethiol
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2-(alpha-Methyl-beta-propenyl)-1-cyclohexanethiol
CID 12396262
3-(Cyclohex-2-en-1-yl)propane-1-thiol
CID 12396317
1-Decene-5-thiol
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Undec-1-ene-4-thiol
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Frequently Asked Questions

What is the IUPAC name of 5-propyloct-7-ene-2-thiol?
The IUPAC name of 5-propyloct-7-ene-2-thiol (CID 123172484) is 5-propyloct-7-ene-2-thiol.
What is the SMILES notation for 5-propyloct-7-ene-2-thiol?
The canonical SMILES for 5-propyloct-7-ene-2-thiol is C=CCC(CCC)CCC(C)S.
What is the InChIKey of 5-propyloct-7-ene-2-thiol?
The InChIKey is BYNWFULPCRAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-6-11(7-5-2)9-8-10(3)12/h4,10-12H,1,5-9H2,2-3H3.
What are the key properties of 5-propyloct-7-ene-2-thiol?
5-propyloct-7-ene-2-thiol has a molecular weight of 186.36 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyloct-7-ene-2-thiol is sourced from PubChem (CID 123172484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).