ethyl 2-cyclopentylprop-2-enoate

C10H16O2 — CID 12924368

IUPACethyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OCC)C1CCCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h9H,2-7H2,1H3
InChIKeyVPQZBEBHNCEGMY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About ethyl 2-cyclopentylprop-2-enoate

ethyl 2-cyclopentylprop-2-enoate (PubChem CID 12924368) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl 2-cyclopentylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-cyclopentylprop-2-enoate
PubChem CID12924368
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OCC)C1CCCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h9H,2-7H2,1H3
InChIKeyVPQZBEBHNCEGMY-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentylprop-2-enoate?
The IUPAC name of ethyl 2-cyclopentylprop-2-enoate (CID 12924368) is ethyl 2-cyclopentylprop-2-enoate.
What is the SMILES notation for ethyl 2-cyclopentylprop-2-enoate?
The canonical SMILES for ethyl 2-cyclopentylprop-2-enoate is C=C(C(=O)OCC)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentylprop-2-enoate?
The InChIKey is VPQZBEBHNCEGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h9H,2-7H2,1H3.
What are the key properties of ethyl 2-cyclopentylprop-2-enoate?
ethyl 2-cyclopentylprop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentylprop-2-enoate is sourced from PubChem (CID 12924368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).