cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone

C14H22O — CID 107176497

IUPACcyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C14H22O/c1-14(2)10-6-9-12(14)13(15)11-7-4-3-5-8-11/h7,12H,3-6,8-10H2,1-2H3
InChIKeyICJBWWUPVAXMLQ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.88
Rot. Bonds2

About cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone

cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176497) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176497
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Namecyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C14H22O/c1-14(2)10-6-9-12(14)13(15)11-7-4-3-5-8-11/h7,12H,3-6,8-10H2,1-2H3
InChIKeyICJBWWUPVAXMLQ-UHFFFAOYSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cycloocten-1-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 106655849
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867
cyclohexen-1-yl-(2-methylcyclopentyl)methanone
CID 107176498
cyclohexen-1-yl-(2-ethylcyclohexyl)methanone
CID 103450041
cyclohexen-1-yl-(3-methylcyclopentyl)methanone
CID 106651922
cyclopenten-1-yl-(2-methylcyclopropyl)methanone
CID 62080123
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
N-(1-methylcyclopropyl)cyclohexene-1-carboxamide
CID 130625889
cyclohexen-1-yl-(5-methyloxolan-2-yl)methanone
CID 81329803
cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 106652019
(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 cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone (CID 107176497) is cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is ICJBWWUPVAXMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(2)10-6-9-12(14)13(15)11-7-4-3-5-8-11/h7,12H,3-6,8-10H2,1-2H3.
What are the key properties of cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone?
cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 206.33 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).