ethyl 4-(2-ethenylcyclopropyl)benzoate

C14H16O2 — CID 70555659

IUPACethyl 4-(2-ethenylcyclopropyl)benzoate
SMILESC=CC1CC1c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H16O2/c1-3-10-9-13(10)11-5-7-12(8-6-11)14(15)16-4-2/h3,5-8,10,13H,1,4,9H2,2H3
InChIKeyRBPJYXYALPOJQC-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.15
Rot. Bonds4

About ethyl 4-(2-ethenylcyclopropyl)benzoate

ethyl 4-(2-ethenylcyclopropyl)benzoate (PubChem CID 70555659) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-(2-ethenylcyclopropyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-ethenylcyclopropyl)benzoate
PubChem CID70555659
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 4-(2-ethenylcyclopropyl)benzoate
SMILESC=CC1CC1c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H16O2/c1-3-10-9-13(10)11-5-7-12(8-6-11)14(15)16-4-2/h3,5-8,10,13H,1,4,9H2,2H3
InChIKeyRBPJYXYALPOJQC-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethenylcyclopropyl)benzoate?
The IUPAC name of ethyl 4-(2-ethenylcyclopropyl)benzoate (CID 70555659) is ethyl 4-(2-ethenylcyclopropyl)benzoate.
What is the SMILES notation for ethyl 4-(2-ethenylcyclopropyl)benzoate?
The canonical SMILES for ethyl 4-(2-ethenylcyclopropyl)benzoate is C=CC1CC1c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(2-ethenylcyclopropyl)benzoate?
The InChIKey is RBPJYXYALPOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-3-10-9-13(10)11-5-7-12(8-6-11)14(15)16-4-2/h3,5-8,10,13H,1,4,9H2,2H3.
What are the key properties of ethyl 4-(2-ethenylcyclopropyl)benzoate?
ethyl 4-(2-ethenylcyclopropyl)benzoate has a molecular weight of 216.28 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethenylcyclopropyl)benzoate is sourced from PubChem (CID 70555659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).