1-(4-ethoxycyclohex-3-en-1-yl)ethanone

C10H16O2 — CID 130029165

IUPAC1-(4-ethoxycyclohex-3-en-1-yl)ethanone
SMILESCCOC1=CCC(C(C)=O)CC1
InChIInChI=1S/C10H16O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h6,9H,3-5,7H2,1-2H3
InChIKeyKLEQYVSOEAWILT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About 1-(4-ethoxycyclohex-3-en-1-yl)ethanone

1-(4-ethoxycyclohex-3-en-1-yl)ethanone (PubChem CID 130029165) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-ethoxycyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-ethoxycyclohex-3-en-1-yl)ethanone
PubChem CID130029165
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(4-ethoxycyclohex-3-en-1-yl)ethanone
SMILESCCOC1=CCC(C(C)=O)CC1
InChIInChI=1S/C10H16O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h6,9H,3-5,7H2,1-2H3
InChIKeyKLEQYVSOEAWILT-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-5,5-dimethyl-
CID 138710
Ethanone, 1-(4-methoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
CID 86027
3-Isobutoxycyclohex-2-en-1-one
CID 89991
3-Ethoxy-6-(prop-2-yn-1-yl)cyclohex-2-en-1-one
CID 90205364
Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)-
CID 86029
2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
6-(2-Butynyl)-3-ethoxy-2-cyclohexen-1-one
CID 361356
3-Butoxycyclohex-2-en-1-one
CID 85454
Penichrypyrone A
CID 146683516
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
Ethanone, 1-(4-butoxy-2,2,6,6-tetramethyl-3-cyclohexen-1-yl)-
CID 86028

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(4-ethoxycyclohex-3-en-1-yl)ethanone (CID 130029165) is 1-(4-ethoxycyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(4-ethoxycyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(4-ethoxycyclohex-3-en-1-yl)ethanone is CCOC1=CCC(C(C)=O)CC1.
What is the InChIKey of 1-(4-ethoxycyclohex-3-en-1-yl)ethanone?
The InChIKey is KLEQYVSOEAWILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 1-(4-ethoxycyclohex-3-en-1-yl)ethanone?
1-(4-ethoxycyclohex-3-en-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 130029165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).