6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one

C15H22O2 — CID 10609761

IUPAC6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CC2=CCCCC2)CC1
InChIInChI=1S/C15H22O2/c1-2-17-14-9-8-13(15(16)11-14)10-12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3
InChIKeyVSSWRXQZCKXDIC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.78
Rot. Bonds4

About 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one

6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one (PubChem CID 10609761) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one
PubChem CID10609761
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(CC2=CCCCC2)CC1
InChIInChI=1S/C15H22O2/c1-2-17-14-9-8-13(15(16)11-14)10-12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3
InChIKeyVSSWRXQZCKXDIC-UHFFFAOYSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
CID 100968
2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one
CID 14191344
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-Ethoxy-2,6-dimethylcyclohex-2-en-1-one
CID 13600083
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
2-Isopropyl-3-methoxy-cyclohex-2-enone
CID 22260134
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxycyclohex-2-en-1-one
CID 60127782
(+)-Membrenone C
CID 11500929
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one?
The IUPAC name of 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one (CID 10609761) is 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one.
What is the SMILES notation for 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one?
The canonical SMILES for 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one is CCOC1=CC(=O)C(CC2=CCCCC2)CC1.
What is the InChIKey of 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one?
The InChIKey is VSSWRXQZCKXDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-2-17-14-9-8-13(15(16)11-14)10-12-6-4-3-5-7-12/h6,11,13H,2-5,7-10H2,1H3.
What are the key properties of 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one?
6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-ylmethyl)-3-ethoxycyclohex-2-en-1-one is sourced from PubChem (CID 10609761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).