cycloheptyl-(2,2-dimethylcyclopentyl)methanone

C15H26O — CID 107187376

IUPACcycloheptyl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1CCCCCC1
InChIInChI=1S/C15H26O/c1-15(2)11-7-10-13(15)14(16)12-8-5-3-4-6-9-12/h12-13H,3-11H2,1-2H3
InChIKeyBGMNGBHRYIRVPG-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds2

About cycloheptyl-(2,2-dimethylcyclopentyl)methanone

cycloheptyl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107187376) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is cycloheptyl-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(2,2-dimethylcyclopentyl)methanone
PubChem CID107187376
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namecycloheptyl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1CCCCCC1
InChIInChI=1S/C15H26O/c1-15(2)11-7-10-13(15)14(16)12-8-5-3-4-6-9-12/h12-13H,3-11H2,1-2H3
InChIKeyBGMNGBHRYIRVPG-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopentyl-(2,2-dimethylcyclohexyl)methanone
CID 107186605
(2,2-dimethylcyclopentyl)-(3-methylcyclohexyl)methanone
CID 107187080
cyclohexyl-[(1S,2S)-2-cyclohexyl-2-hydroxycyclopentyl]methanone
CID 101090893
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
N,N,2,2-tetramethylcyclohexane-1-carboxamide
CID 107180263
(2,2-dimethylcyclohexyl)-(2-ethylcyclohexyl)methanone
CID 107186989
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
2-[(2,2-dimethylcyclopentanecarbonyl)amino]cycloheptane-1-carboxylic acid
CID 107175736
1-(2,2-dimethylcyclopentyl)pent-4-yn-1-one
CID 107186959
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
cyclopentyl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114622352

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of cycloheptyl-(2,2-dimethylcyclopentyl)methanone (CID 107187376) is cycloheptyl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for cycloheptyl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for cycloheptyl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is BGMNGBHRYIRVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-15(2)11-7-10-13(15)14(16)12-8-5-3-4-6-9-12/h12-13H,3-11H2,1-2H3.
What are the key properties of cycloheptyl-(2,2-dimethylcyclopentyl)methanone?
cycloheptyl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 222.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107187376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).