ethenyl cyclopentanecarboxylate

C8H12O2 — CID 27905

IUPACethenyl cyclopentanecarboxylate
SMILESC=COC(=O)C1CCCC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h2,7H,1,3-6H2
InChIKeyHPJNZMNSEFSQMV-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.86
Rot. Bonds2

About ethenyl cyclopentanecarboxylate

ethenyl cyclopentanecarboxylate (PubChem CID 27905) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethenyl cyclopentanecarboxylate.

Molecular Properties

Compound Nameethenyl cyclopentanecarboxylate
PubChem CID27905
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethenyl cyclopentanecarboxylate
SMILESC=COC(=O)C1CCCC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h2,7H,1,3-6H2
InChIKeyHPJNZMNSEFSQMV-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl cyclopentanecarboxylate?
The IUPAC name of ethenyl cyclopentanecarboxylate (CID 27905) is ethenyl cyclopentanecarboxylate.
What is the SMILES notation for ethenyl cyclopentanecarboxylate?
The canonical SMILES for ethenyl cyclopentanecarboxylate is C=COC(=O)C1CCCC1.
What is the InChIKey of ethenyl cyclopentanecarboxylate?
The InChIKey is HPJNZMNSEFSQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8(9)7-5-3-4-6-7/h2,7H,1,3-6H2.
What are the key properties of ethenyl cyclopentanecarboxylate?
ethenyl cyclopentanecarboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl cyclopentanecarboxylate is sourced from PubChem (CID 27905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).