2-ethenyl-2-ethoxycyclohexan-1-one

C10H16O2 — CID 141401591

IUPAC2-ethenyl-2-ethoxycyclohexan-1-one
SMILESC=CC1(OCC)CCCCC1=O
InChIInChI=1S/C10H16O2/c1-3-10(12-4-2)8-6-5-7-9(10)11/h3H,1,4-8H2,2H3
InChIKeyRETHOZVWZBURQM-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds3

About 2-ethenyl-2-ethoxycyclohexan-1-one

2-ethenyl-2-ethoxycyclohexan-1-one (PubChem CID 141401591) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethenyl-2-ethoxycyclohexan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-ethoxycyclohexan-1-one
PubChem CID141401591
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethenyl-2-ethoxycyclohexan-1-one
SMILESC=CC1(OCC)CCCCC1=O
InChIInChI=1S/C10H16O2/c1-3-10(12-4-2)8-6-5-7-9(10)11/h3H,1,4-8H2,2H3
InChIKeyRETHOZVWZBURQM-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

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 10703591
1-(1-Ethenylcyclohexyl)oxypropan-2-one
CID 13618031
(2R,5R)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10607857
(2R,5S)-2-ethenyl-2-methyl-1-oxaspiro[4.5]decan-6-one
CID 10655437
2-Methoxy-2-prop-2-enylcyclohexan-1-one
CID 11378728
1-Oxaspiro[4.5]dec-3-en-6-one
CID 14102934
(1-Ethenyl-2-oxocyclohexyl) acetate
CID 21765343
(4R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 101079957
(4S)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-one
CID 101079958
1-(1-Ethoxycyclohexyl)oct-7-en-1-one
CID 113904432
1-(1-Methoxycyclohexyl)but-3-en-1-one
CID 116747961
1-(1-Methoxycyclohexyl)pent-4-en-1-one
CID 116747980

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-ethoxycyclohexan-1-one?
The IUPAC name of 2-ethenyl-2-ethoxycyclohexan-1-one (CID 141401591) is 2-ethenyl-2-ethoxycyclohexan-1-one.
What is the SMILES notation for 2-ethenyl-2-ethoxycyclohexan-1-one?
The canonical SMILES for 2-ethenyl-2-ethoxycyclohexan-1-one is C=CC1(OCC)CCCCC1=O.
What is the InChIKey of 2-ethenyl-2-ethoxycyclohexan-1-one?
The InChIKey is RETHOZVWZBURQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-10(12-4-2)8-6-5-7-9(10)11/h3H,1,4-8H2,2H3.
What are the key properties of 2-ethenyl-2-ethoxycyclohexan-1-one?
2-ethenyl-2-ethoxycyclohexan-1-one 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 2-ethenyl-2-ethoxycyclohexan-1-one is sourced from PubChem (CID 141401591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).