5-ethenylnonane-5-thiol

C11H22S — CID 18982536

IUPAC5-ethenylnonane-5-thiol
SMILESC=CC(S)(CCCC)CCCC
InChIInChI=1S/C11H22S/c1-4-7-9-11(12,6-3)10-8-5-2/h6,12H,3-5,7-10H2,1-2H3
InChIKeyWSJNWLUOHWLURP-UHFFFAOYSA-N
MW186.36 g/mol
LogP4.22
Rot. Bonds7

About 5-ethenylnonane-5-thiol

5-ethenylnonane-5-thiol (PubChem CID 18982536) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 5-ethenylnonane-5-thiol.

Molecular Properties

Compound Name5-ethenylnonane-5-thiol
PubChem CID18982536
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name5-ethenylnonane-5-thiol
SMILESC=CC(S)(CCCC)CCCC
InChIInChI=1S/C11H22S/c1-4-7-9-11(12,6-3)10-8-5-2/h6,12H,3-5,7-10H2,1-2H3
InChIKeyWSJNWLUOHWLURP-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

2-Butyl-4-pentenethiol
CID 129783071
3-Ethenyloctane-1-thiol
CID 12400865
1-Prop-2-enylcyclohexane-1-thiol
CID 87317164
1-(1-Methylcycloundecyl)ethenethiol
CID 89404396
1-Ethylcyclooct-4-ene-1-thiol
CID 91080267
(Z)-3-ethylhept-1-ene-1-thiol
CID 122663477
5-Propyloct-7-ene-2-thiol
CID 123172484
5-Propyldec-9-ene-3-thiol
CID 123198752
4-Ethenyl-2,4,6-trimethylheptane-2-thiol
CID 130348472
4-Ethyloct-7-ene-2-thiol
CID 134526669
4-Ethyloct-1-ene-1-thiol
CID 140759657
3-Ethyl-4-methylocta-1,7-diene-3-thiol
CID 146608566

Frequently Asked Questions

What is the IUPAC name of 5-ethenylnonane-5-thiol?
The IUPAC name of 5-ethenylnonane-5-thiol (CID 18982536) is 5-ethenylnonane-5-thiol.
What is the SMILES notation for 5-ethenylnonane-5-thiol?
The canonical SMILES for 5-ethenylnonane-5-thiol is C=CC(S)(CCCC)CCCC.
What is the InChIKey of 5-ethenylnonane-5-thiol?
The InChIKey is WSJNWLUOHWLURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-7-9-11(12,6-3)10-8-5-2/h6,12H,3-5,7-10H2,1-2H3.
What are the key properties of 5-ethenylnonane-5-thiol?
5-ethenylnonane-5-thiol has a molecular weight of 186.36 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylnonane-5-thiol is sourced from PubChem (CID 18982536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).