prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate

C11H16O4 — CID 10899921

IUPACprop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCCC(OC)C1=O
InChIInChI=1S/C11H16O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3,8-9H,1,4-7H2,2H3
InChIKeyJPMGPHZJDLDCEF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.10
Rot. Bonds4

About prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate

prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate (PubChem CID 10899921) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate
PubChem CID10899921
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameprop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate
SMILESC=CCOC(=O)C1CCCC(OC)C1=O
InChIInChI=1S/C11H16O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3,8-9H,1,4-7H2,2H3
InChIKeyJPMGPHZJDLDCEF-UHFFFAOYSA-N
XLogP1.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-but-3-enyl-2-oxocyclohexane-1-carboxylate
CID 14611061
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
prop-2-enyl 2-oxopyrrolidine-3-carboxylate
CID 70598263
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
2,5-dioxo-4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 70508828
prop-2-enyl cyclododecanecarboxylate
CID 139624721
1-O-methyl 2-O-prop-2-enyl 3,6-dioxocyclohexane-1,2-dicarboxylate
CID 67700062
3-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952306
ethyl 3-methyl-2-oxocycloheptane-1-carboxylate
CID 22173688
prop-2-enyl 5-oxo-1,4-diazepane-6-carboxylate
CID 154944680
ethyl 3-(methoxymethoxy)-2-oxocyclopentane-1-carboxylate
CID 15306207
bis(prop-2-enyl) 4-methylcyclohexane-1,2-dicarboxylate
CID 21184997

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate?
The IUPAC name of prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate (CID 10899921) is prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate is C=CCOC(=O)C1CCCC(OC)C1=O.
What is the InChIKey of prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate?
The InChIKey is JPMGPHZJDLDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-7-15-11(13)8-5-4-6-9(14-2)10(8)12/h3,8-9H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate?
prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-methoxy-2-oxocyclohexane-1-carboxylate is sourced from PubChem (CID 10899921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).