1-ethylcyclooct-4-ene-1-thiol

C10H18S — CID 91080267

IUPAC1-ethylcyclooct-4-ene-1-thiol
SMILESCCC1(S)CCC=CCCC1
InChIInChI=1S/C10H18S/c1-2-10(11)8-6-4-3-5-7-9-10/h3-4,11H,2,5-9H2,1H3
InChIKeyJJDILQGMJLQAQG-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.59
Rot. Bonds1

About 1-ethylcyclooct-4-ene-1-thiol

1-ethylcyclooct-4-ene-1-thiol (PubChem CID 91080267) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-ethylcyclooct-4-ene-1-thiol.

Molecular Properties

Compound Name1-ethylcyclooct-4-ene-1-thiol
PubChem CID91080267
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1-ethylcyclooct-4-ene-1-thiol
SMILESCCC1(S)CCC=CCCC1
InChIInChI=1S/C10H18S/c1-2-10(11)8-6-4-3-5-7-9-10/h3-4,11H,2,5-9H2,1H3
InChIKeyJJDILQGMJLQAQG-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.59
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'}

Analyze 1-ethylcyclooct-4-ene-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-Cyclooctene, 5-methyl
CID 5352588
2-(4-Methylcyclohexen-1-yl)propane-2-thiol
CID 44181960
(r)-p-Menthen-8-thiol
CID 52376493
(1E)-5-methylcyclooctene
CID 140764486
(2Z)-9-fluoro-1-methylcyclododec-2-ene-1-thiol
CID 170030771
3-(Cyclohex-2-en-1-yl)propane-1-thiol
CID 12396317
(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol
CID 11378623
(1R)-1-hexylcyclohex-2-ene-1-thiol
CID 101224644
Cyclooctene, 5-methyl-
CID 527710
(1Z)-5-propylcyclooctene
CID 13652295
5-Ethenylnonane-5-thiol
CID 18982536
1-(2-Methylbutyl)cyclohexa-2,5-diene-1-thiol
CID 20494920

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclooct-4-ene-1-thiol?
The IUPAC name of 1-ethylcyclooct-4-ene-1-thiol (CID 91080267) is 1-ethylcyclooct-4-ene-1-thiol.
What is the SMILES notation for 1-ethylcyclooct-4-ene-1-thiol?
The canonical SMILES for 1-ethylcyclooct-4-ene-1-thiol is CCC1(S)CCC=CCCC1.
What is the InChIKey of 1-ethylcyclooct-4-ene-1-thiol?
The InChIKey is JJDILQGMJLQAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-2-10(11)8-6-4-3-5-7-9-10/h3-4,11H,2,5-9H2,1H3.
What are the key properties of 1-ethylcyclooct-4-ene-1-thiol?
1-ethylcyclooct-4-ene-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclooct-4-ene-1-thiol is sourced from PubChem (CID 91080267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).