cyclopentyl-(2,2-dimethylcyclohexyl)methanone

C14H24O — CID 107186605

IUPACcyclopentyl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1CCCC1
InChIInChI=1S/C14H24O/c1-14(2)10-6-5-9-12(14)13(15)11-7-3-4-8-11/h11-12H,3-10H2,1-2H3
InChIKeyXMGIWMBGPQECTN-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds2

About cyclopentyl-(2,2-dimethylcyclohexyl)methanone

cyclopentyl-(2,2-dimethylcyclohexyl)methanone (PubChem CID 107186605) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is cyclopentyl-(2,2-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclopentyl-(2,2-dimethylcyclohexyl)methanone
PubChem CID107186605
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namecyclopentyl-(2,2-dimethylcyclohexyl)methanone
SMILESCC1(C)CCCCC1C(=O)C1CCCC1
InChIInChI=1S/C14H24O/c1-14(2)10-6-5-9-12(14)13(15)11-7-3-4-8-11/h11-12H,3-10H2,1-2H3
InChIKeyXMGIWMBGPQECTN-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-(2,2-dimethylcyclopentyl)methanone
CID 107187376
(2,2-dimethylcyclopentyl)-(3-methylcyclohexyl)methanone
CID 107187080
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
1-(2,2-dimethylcyclohexyl)hexan-1-one
CID 107186772
N-(2-amino-2-oxoethoxy)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180286
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
CID 101090893

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,2-dimethylcyclohexyl)methanone?
The IUPAC name of cyclopentyl-(2,2-dimethylcyclohexyl)methanone (CID 107186605) is cyclopentyl-(2,2-dimethylcyclohexyl)methanone.
What is the SMILES notation for cyclopentyl-(2,2-dimethylcyclohexyl)methanone?
The canonical SMILES for cyclopentyl-(2,2-dimethylcyclohexyl)methanone is CC1(C)CCCCC1C(=O)C1CCCC1.
What is the InChIKey of cyclopentyl-(2,2-dimethylcyclohexyl)methanone?
The InChIKey is XMGIWMBGPQECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-14(2)10-6-5-9-12(14)13(15)11-7-3-4-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of cyclopentyl-(2,2-dimethylcyclohexyl)methanone?
cyclopentyl-(2,2-dimethylcyclohexyl)methanone has a molecular weight of 208.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,2-dimethylcyclohexyl)methanone is sourced from PubChem (CID 107186605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).