ethenyl 1-methylcyclopentane-1-carboxylate

C9H14O2 — CID 21161910

IUPACethenyl 1-methylcyclopentane-1-carboxylate
SMILESC=COC(=O)C1(C)CCCC1
InChIInChI=1S/C9H14O2/c1-3-11-8(10)9(2)6-4-5-7-9/h3H,1,4-7H2,2H3
InChIKeyZZOCAOPBDBKEGR-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.25
Rot. Bonds2

About ethenyl 1-methylcyclopentane-1-carboxylate

ethenyl 1-methylcyclopentane-1-carboxylate (PubChem CID 21161910) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethenyl 1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethenyl 1-methylcyclopentane-1-carboxylate
PubChem CID21161910
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethenyl 1-methylcyclopentane-1-carboxylate
SMILESC=COC(=O)C1(C)CCCC1
InChIInChI=1S/C9H14O2/c1-3-11-8(10)9(2)6-4-5-7-9/h3H,1,4-7H2,2H3
InChIKeyZZOCAOPBDBKEGR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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 1-methylcyclopentane-1-carboxylate?
The IUPAC name of ethenyl 1-methylcyclopentane-1-carboxylate (CID 21161910) is ethenyl 1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethenyl 1-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethenyl 1-methylcyclopentane-1-carboxylate is C=COC(=O)C1(C)CCCC1.
What is the InChIKey of ethenyl 1-methylcyclopentane-1-carboxylate?
The InChIKey is ZZOCAOPBDBKEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-8(10)9(2)6-4-5-7-9/h3H,1,4-7H2,2H3.
What are the key properties of ethenyl 1-methylcyclopentane-1-carboxylate?
ethenyl 1-methylcyclopentane-1-carboxylate has a molecular weight of 154.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 21161910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).