2-oxoethyl 2,3-dicyclopentylprop-2-enoate

C15H22O3 — CID 87739157

IUPAC2-oxoethyl 2,3-dicyclopentylprop-2-enoate
SMILESO=CCOC(=O)C(=CC1CCCC1)C1CCCC1
InChIInChI=1S/C15H22O3/c16-9-10-18-15(17)14(13-7-3-4-8-13)11-12-5-1-2-6-12/h9,11-13H,1-8,10H2
InChIKeyAZWCAVRRDMFXEA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.04
Rot. Bonds5

About 2-oxoethyl 2,3-dicyclopentylprop-2-enoate

2-oxoethyl 2,3-dicyclopentylprop-2-enoate (PubChem CID 87739157) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-oxoethyl 2,3-dicyclopentylprop-2-enoate.

Molecular Properties

Compound Name2-oxoethyl 2,3-dicyclopentylprop-2-enoate
PubChem CID87739157
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-oxoethyl 2,3-dicyclopentylprop-2-enoate
SMILESO=CCOC(=O)C(=CC1CCCC1)C1CCCC1
InChIInChI=1S/C15H22O3/c16-9-10-18-15(17)14(13-7-3-4-8-13)11-12-5-1-2-6-12/h9,11-13H,1-8,10H2
InChIKeyAZWCAVRRDMFXEA-UHFFFAOYSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2,3-dicyclopentylprop-2-enoate?
The IUPAC name of 2-oxoethyl 2,3-dicyclopentylprop-2-enoate (CID 87739157) is 2-oxoethyl 2,3-dicyclopentylprop-2-enoate.
What is the SMILES notation for 2-oxoethyl 2,3-dicyclopentylprop-2-enoate?
The canonical SMILES for 2-oxoethyl 2,3-dicyclopentylprop-2-enoate is O=CCOC(=O)C(=CC1CCCC1)C1CCCC1.
What is the InChIKey of 2-oxoethyl 2,3-dicyclopentylprop-2-enoate?
The InChIKey is AZWCAVRRDMFXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c16-9-10-18-15(17)14(13-7-3-4-8-13)11-12-5-1-2-6-12/h9,11-13H,1-8,10H2.
What are the key properties of 2-oxoethyl 2,3-dicyclopentylprop-2-enoate?
2-oxoethyl 2,3-dicyclopentylprop-2-enoate has a molecular weight of 250.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2,3-dicyclopentylprop-2-enoate is sourced from PubChem (CID 87739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).