3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one

C14H22O2 — CID 23041547

IUPAC3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one
SMILESCCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C14H22O2/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h10-11,14H,2-9H2,1H3
InChIKeyZDOCMYWGLWNTED-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.26
Rot. Bonds3

About 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one

3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one (PubChem CID 23041547) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one
PubChem CID23041547
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one
SMILESCCOC1CCC(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C14H22O2/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h10-11,14H,2-9H2,1H3
InChIKeyZDOCMYWGLWNTED-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one (CID 23041547) is 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one is CCOC1CCC(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one?
The InChIKey is ZDOCMYWGLWNTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-2-16-14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one?
3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycyclohexyl)cyclohex-2-en-1-one is sourced from PubChem (CID 23041547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).