ethenyl 3-methylcyclopentane-1-carboxylate

C9H14O2 — CID 70160267

IUPACethenyl 3-methylcyclopentane-1-carboxylate
SMILESC=COC(=O)C1CCC(C)C1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyAJSRSEXVHCCILK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.11
Rot. Bonds2

About ethenyl 3-methylcyclopentane-1-carboxylate

ethenyl 3-methylcyclopentane-1-carboxylate (PubChem CID 70160267) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethenyl 3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethenyl 3-methylcyclopentane-1-carboxylate
PubChem CID70160267
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethenyl 3-methylcyclopentane-1-carboxylate
SMILESC=COC(=O)C1CCC(C)C1
InChIInChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyAJSRSEXVHCCILK-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.11
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 3-methylcyclopentane-1-carboxylate?
The IUPAC name of ethenyl 3-methylcyclopentane-1-carboxylate (CID 70160267) is ethenyl 3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethenyl 3-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethenyl 3-methylcyclopentane-1-carboxylate is C=COC(=O)C1CCC(C)C1.
What is the InChIKey of ethenyl 3-methylcyclopentane-1-carboxylate?
The InChIKey is AJSRSEXVHCCILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9(10)8-5-4-7(2)6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of ethenyl 3-methylcyclopentane-1-carboxylate?
ethenyl 3-methylcyclopentane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 70160267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).