1-(3-ethoxycyclohexen-1-yl)ethanone

C10H16O2 — CID 15143066

IUPAC1-(3-ethoxycyclohexen-1-yl)ethanone
SMILESCCOC1C=C(C(C)=O)CCC1
InChIInChI=1S/C10H16O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h7,10H,3-6H2,1-2H3
InChIKeyRBDDCBJFFBOIMX-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds3

About 1-(3-ethoxycyclohexen-1-yl)ethanone

1-(3-ethoxycyclohexen-1-yl)ethanone (PubChem CID 15143066) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-ethoxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxycyclohexen-1-yl)ethanone
PubChem CID15143066
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(3-ethoxycyclohexen-1-yl)ethanone
SMILESCCOC1C=C(C(C)=O)CCC1
InChIInChI=1S/C10H16O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h7,10H,3-6H2,1-2H3
InChIKeyRBDDCBJFFBOIMX-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclohexen-1-yl)ethanone?
The IUPAC name of 1-(3-ethoxycyclohexen-1-yl)ethanone (CID 15143066) is 1-(3-ethoxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethoxycyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(3-ethoxycyclohexen-1-yl)ethanone is CCOC1C=C(C(C)=O)CCC1.
What is the InChIKey of 1-(3-ethoxycyclohexen-1-yl)ethanone?
The InChIKey is RBDDCBJFFBOIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10-6-4-5-9(7-10)8(2)11/h7,10H,3-6H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclohexen-1-yl)ethanone?
1-(3-ethoxycyclohexen-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 15143066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).