1-(3,3-diethylcyclopentyl)ethanethiol

C11H22S — CID 88538499

IUPAC1-(3,3-diethylcyclopentyl)ethanethiol
SMILESCCC1(CC)CCC(C(C)S)C1
InChIInChI=1S/C11H22S/c1-4-11(5-2)7-6-10(8-11)9(3)12/h9-10,12H,4-8H2,1-3H3
InChIKeyUKNVUYNFCZRERR-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.91
Rot. Bonds3

About 1-(3,3-diethylcyclopentyl)ethanethiol

1-(3,3-diethylcyclopentyl)ethanethiol (PubChem CID 88538499) has the molecular formula C11H22S and a molecular weight of 186.36 g/mol. Its IUPAC name is 1-(3,3-diethylcyclopentyl)ethanethiol.

Molecular Properties

Compound Name1-(3,3-diethylcyclopentyl)ethanethiol
PubChem CID88538499
Molecular FormulaC11H22S
Molecular Weight186.36 g/mol
Exact Mass186.14
IUPAC Name1-(3,3-diethylcyclopentyl)ethanethiol
SMILESCCC1(CC)CCC(C(C)S)C1
InChIInChI=1S/C11H22S/c1-4-11(5-2)7-6-10(8-11)9(3)12/h9-10,12H,4-8H2,1-3H3
InChIKeyUKNVUYNFCZRERR-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-propan-2-ylcyclobutane
CID 162172993
1-ethyl-3-methyl-1-(2-methylpropyl)cyclopentane
CID 123256841
3,3-diethylcyclopentan-1-amine;methanol
CID 174812528
1-ethyl-1-(2-methylpropyl)-3-propan-2-ylcyclobutane
CID 123640401
2-(4,4-diethylcyclohexyl)ethane-1,1-diol
CID 123911610
1,1-diethyl-3-methylcyclohexane
CID 19090157
1,3-diethyl-1-(2-methylbutyl)cyclopentane
CID 123267879
1-[2-(cyclopropylmethyl)-5,5-diethylcyclohexyl]-N-ethylethanamine
CID 91350540
[(1S)-1-ethyl-3-methylcyclopentyl]methanamine
CID 142068635
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699
N-[(1-ethylcyclopropyl)methyl]propan-2-amine
CID 66026004

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethylcyclopentyl)ethanethiol?
The IUPAC name of 1-(3,3-diethylcyclopentyl)ethanethiol (CID 88538499) is 1-(3,3-diethylcyclopentyl)ethanethiol.
What is the SMILES notation for 1-(3,3-diethylcyclopentyl)ethanethiol?
The canonical SMILES for 1-(3,3-diethylcyclopentyl)ethanethiol is CCC1(CC)CCC(C(C)S)C1.
What is the InChIKey of 1-(3,3-diethylcyclopentyl)ethanethiol?
The InChIKey is UKNVUYNFCZRERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22S/c1-4-11(5-2)7-6-10(8-11)9(3)12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-(3,3-diethylcyclopentyl)ethanethiol?
1-(3,3-diethylcyclopentyl)ethanethiol has a molecular weight of 186.36 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethylcyclopentyl)ethanethiol is sourced from PubChem (CID 88538499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).