5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol

C10H18S — CID 20583882

IUPAC5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)C1CCC(C)CC1S
InChIInChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
InChIKeyIRNNXJCGSKQGCE-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.30
Rot. Bonds1

About 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol

5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol (PubChem CID 20583882) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol.

Molecular Properties

Compound Name5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
PubChem CID20583882
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
SMILESC=C(C)C1CCC(C)CC1S
InChIInChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
InChIKeyIRNNXJCGSKQGCE-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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

Cyclohexanethiol, 1-methyl-4-(1-methylethenyl)-
CID 111429
3,11-Dimethyl-7-methylidenedodecane-1-thiol
CID 171109147
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
2-(alpha-Methyl-beta-propenyl)-1-cyclohexanethiol
CID 12396262
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
(1S,2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol
CID 59062062
2-Methyl-5-prop-1-en-2-ylcyclohexane-1-thiol
CID 85832070
2,9-Dimethyldec-9-ene-1-thiol
CID 89093677
1-(2-Methylidenecyclohexyl)ethane-1,2-dithiol
CID 90723965
1-(4-Methylidenecyclohexyl)ethanethiol
CID 123606657
2,3,4,6-Tetramethyl-5-prop-1-en-2-ylcyclohexane-1-thiol
CID 123995424
4-(3,4-Dimethylpent-4-en-2-yl)-2,3-dimethylcyclohexane-1-thiol
CID 124014877

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The IUPAC name of 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol (CID 20583882) is 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol.
What is the SMILES notation for 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The canonical SMILES for 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol is C=C(C)C1CCC(C)CC1S.
What is the InChIKey of 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
The InChIKey is IRNNXJCGSKQGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3.
What are the key properties of 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol?
5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-1-en-2-ylcyclohexane-1-thiol is sourced from PubChem (CID 20583882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).