prop-2-enyl 2-cyclohexyl-2-oxoacetate

C11H16O3 — CID 70498254

IUPACprop-2-enyl 2-cyclohexyl-2-oxoacetate
SMILESC=CCOC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C11H16O3/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyUTCDRWCBLKOELH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.87
Rot. Bonds4

About prop-2-enyl 2-cyclohexyl-2-oxoacetate

prop-2-enyl 2-cyclohexyl-2-oxoacetate (PubChem CID 70498254) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is prop-2-enyl 2-cyclohexyl-2-oxoacetate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyclohexyl-2-oxoacetate
PubChem CID70498254
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameprop-2-enyl 2-cyclohexyl-2-oxoacetate
SMILESC=CCOC(=O)C(=O)C1CCCCC1
InChIInChI=1S/C11H16O3/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2
InChIKeyUTCDRWCBLKOELH-UHFFFAOYSA-N
XLogP1.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-cyclohexyl-2-oxoacetate?
The IUPAC name of prop-2-enyl 2-cyclohexyl-2-oxoacetate (CID 70498254) is prop-2-enyl 2-cyclohexyl-2-oxoacetate.
What is the SMILES notation for prop-2-enyl 2-cyclohexyl-2-oxoacetate?
The canonical SMILES for prop-2-enyl 2-cyclohexyl-2-oxoacetate is C=CCOC(=O)C(=O)C1CCCCC1.
What is the InChIKey of prop-2-enyl 2-cyclohexyl-2-oxoacetate?
The InChIKey is UTCDRWCBLKOELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-8-14-11(13)10(12)9-6-4-3-5-7-9/h2,9H,1,3-8H2.
What are the key properties of prop-2-enyl 2-cyclohexyl-2-oxoacetate?
prop-2-enyl 2-cyclohexyl-2-oxoacetate has a molecular weight of 196.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyclohexyl-2-oxoacetate is sourced from PubChem (CID 70498254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).