(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone

C16H24OS — CID 107176660

IUPAC(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCC2(C)C)s1
InChIInChI=1S/C16H24OS/c1-15(2,3)13-9-8-12(18-13)14(17)11-7-6-10-16(11,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyCNPLBRNFFVEFTF-UHFFFAOYSA-N
MW264.43 g/mol
LogP5.05
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone

(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176660) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176660
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)C2CCCC2(C)C)s1
InChIInChI=1S/C16H24OS/c1-15(2,3)13-9-8-12(18-13)14(17)11-7-6-10-16(11,4)5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyCNPLBRNFFVEFTF-UHFFFAOYSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
2-(5-tert-butylthiophene-2-carbonyl)cyclopentane-1-carboxylic acid
CID 114392111
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176609
(4-bromo-5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176750
1-benzothiophen-3-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176367
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
CID 107176497
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
5-(2,2-dimethylcyclohexanecarbonyl)furan-2-carboxylic acid
CID 107187699

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone (CID 107176660) is (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone is CC(C)(C)c1ccc(C(=O)C2CCCC2(C)C)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is CNPLBRNFFVEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-15(2,3)13-9-8-12(18-13)14(17)11-7-6-10-16(11,4)5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone?
(5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 264.43 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).