1-cyclopentylethyl 2-cyclopentylprop-2-enoate

C15H24O2 — CID 141328067

IUPAC1-cyclopentylethyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OC(C)C1CCCC1)C1CCCC1
InChIInChI=1S/C15H24O2/c1-11(13-7-3-4-8-13)15(16)17-12(2)14-9-5-6-10-14/h12-14H,1,3-10H2,2H3
InChIKeyBQFMAIYJAGWJBN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.85
Rot. Bonds4

About 1-cyclopentylethyl 2-cyclopentylprop-2-enoate

1-cyclopentylethyl 2-cyclopentylprop-2-enoate (PubChem CID 141328067) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-cyclopentylethyl 2-cyclopentylprop-2-enoate.

Molecular Properties

Compound Name1-cyclopentylethyl 2-cyclopentylprop-2-enoate
PubChem CID141328067
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-cyclopentylethyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OC(C)C1CCCC1)C1CCCC1
InChIInChI=1S/C15H24O2/c1-11(13-7-3-4-8-13)15(16)17-12(2)14-9-5-6-10-14/h12-14H,1,3-10H2,2H3
InChIKeyBQFMAIYJAGWJBN-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.85
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 1-cyclopentylethyl 2-cyclopentylprop-2-enoate?
The IUPAC name of 1-cyclopentylethyl 2-cyclopentylprop-2-enoate (CID 141328067) is 1-cyclopentylethyl 2-cyclopentylprop-2-enoate.
What is the SMILES notation for 1-cyclopentylethyl 2-cyclopentylprop-2-enoate?
The canonical SMILES for 1-cyclopentylethyl 2-cyclopentylprop-2-enoate is C=C(C(=O)OC(C)C1CCCC1)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2-cyclopentylprop-2-enoate?
The InChIKey is BQFMAIYJAGWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(13-7-3-4-8-13)15(16)17-12(2)14-9-5-6-10-14/h12-14H,1,3-10H2,2H3.
What are the key properties of 1-cyclopentylethyl 2-cyclopentylprop-2-enoate?
1-cyclopentylethyl 2-cyclopentylprop-2-enoate has a molecular weight of 236.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethyl 2-cyclopentylprop-2-enoate is sourced from PubChem (CID 141328067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).