cyclohexen-1-yl-(2-ethylcyclohexyl)methanone

C15H24O — CID 103450041

IUPACcyclohexen-1-yl-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C15H24O/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h9,12,14H,2-8,10-11H2,1H3
InChIKeyARYNLELMPHJPMG-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.27
Rot. Bonds3

About cyclohexen-1-yl-(2-ethylcyclohexyl)methanone

cyclohexen-1-yl-(2-ethylcyclohexyl)methanone (PubChem CID 103450041) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is cyclohexen-1-yl-(2-ethylcyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(2-ethylcyclohexyl)methanone
PubChem CID103450041
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Namecyclohexen-1-yl-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)C1=CCCCC1
InChIInChI=1S/C15H24O/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h9,12,14H,2-8,10-11H2,1H3
InChIKeyARYNLELMPHJPMG-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(2-ethylcyclohexyl)methanone?
The IUPAC name of cyclohexen-1-yl-(2-ethylcyclohexyl)methanone (CID 103450041) is cyclohexen-1-yl-(2-ethylcyclohexyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(2-ethylcyclohexyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(2-ethylcyclohexyl)methanone is CCC1CCCCC1C(=O)C1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(2-ethylcyclohexyl)methanone?
The InChIKey is ARYNLELMPHJPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h9,12,14H,2-8,10-11H2,1H3.
What are the key properties of cyclohexen-1-yl-(2-ethylcyclohexyl)methanone?
cyclohexen-1-yl-(2-ethylcyclohexyl)methanone has a molecular weight of 220.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(2-ethylcyclohexyl)methanone is sourced from PubChem (CID 103450041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).