[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol

C11H20S — CID 88878179

IUPAC[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol
SMILESCC(C)=CCC1(CS)CCCC1
InChIInChI=1S/C11H20S/c1-10(2)5-8-11(9-12)6-3-4-7-11/h5,12H,3-4,6-9H2,1-2H3
InChIKeyFZAXCEBWZCGLRP-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.83
Rot. Bonds3

About [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol

[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol (PubChem CID 88878179) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol.

Molecular Properties

Compound Name[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol
PubChem CID88878179
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol
SMILESCC(C)=CCC1(CS)CCCC1
InChIInChI=1S/C11H20S/c1-10(2)5-8-11(9-12)6-3-4-7-11/h5,12H,3-4,6-9H2,1-2H3
InChIKeyFZAXCEBWZCGLRP-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.83
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

6-Octene-1-thiol, 3,7-dimethyl-
CID 13537624
1-Methyl-1-(2-methyl-2-propenyl)-cyclopentane
CID 56936210
2-Cyclohexene-1-methanethiol, 2,6,6-trimethyl-
CID 21156049
[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methanethiol
CID 3085622
(6E)-3,7,11-trimethyldodeca-6,10-diene-1-thiol
CID 171109145
(E)-3,7,11-trimethyldodec-6-ene-1-thiol
CID 171109149
(s)-(4-(Prop-1-en-2-yl)cyclohex-1-en-1-yl)methanethiol
CID 177896084
2-Methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-thiol
CID 15410528
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-ene-1-thiol
CID 21388156
4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 53674266
1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-ene-1-thiol
CID 54430645

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol?
The IUPAC name of [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol (CID 88878179) is [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol.
What is the SMILES notation for [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol?
The canonical SMILES for [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol is CC(C)=CCC1(CS)CCCC1.
What is the InChIKey of [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol?
The InChIKey is FZAXCEBWZCGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-10(2)5-8-11(9-12)6-3-4-7-11/h5,12H,3-4,6-9H2,1-2H3.
What are the key properties of [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol?
[1-(3-methylbut-2-enyl)cyclopentyl]methanethiol has a molecular weight of 184.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbut-2-enyl)cyclopentyl]methanethiol is sourced from PubChem (CID 88878179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).