1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone

C13H18OS — CID 107179308

IUPAC1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
SMILESCC1(C)CCCC1C(=O)Cc1cccs1
InChIInChI=1S/C13H18OS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyZHDCBUJJPFRDNX-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.69
Rot. Bonds3

About 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone

1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone (PubChem CID 107179308) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
PubChem CID107179308
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone
SMILESCC1(C)CCCC1C(=O)Cc1cccs1
InChIInChI=1S/C13H18OS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11H,3,6-7,9H2,1-2H3
InChIKeyZHDCBUJJPFRDNX-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
1-(2,2,3,3-tetramethylcyclopropyl)-2-thiophen-2-ylethanone
CID 66476524
(1S)-2,2,6-trimethyl-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 161110122
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-thiophen-2-ylethanone
CID 79074375
1-(2-methyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 79758315
1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one
CID 116599394
1-(2-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116592024
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
1-cyclobutyl-3-thiophen-2-ylpropan-1-one
CID 64982146
N-[(1S,2S)-2-hydroxycyclohexyl]-N-methyl-2-thiophen-2-ylacetamide
CID 95706035
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone (CID 107179308) is 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone is CC1(C)CCCC1C(=O)Cc1cccs1.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone?
The InChIKey is ZHDCBUJJPFRDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c1-13(2)7-3-6-11(13)12(14)9-10-5-4-8-15-10/h4-5,8,11H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone?
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone has a molecular weight of 222.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanone is sourced from PubChem (CID 107179308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).