[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate

C11H17ClO2 — CID 5353031

IUPAC[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC/C=C/Cl
InChIInChI=1S/C11H17ClO2/c12-8-3-9-14-11(13)7-6-10-4-1-2-5-10/h3,8,10H,1-2,4-7,9H2/b8-3+
InChIKeyQXWNSXGSUGCIHO-FPYGCLRLSA-N
MW216.71 g/mol
LogP3.25
Rot. Bonds5

About [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate

[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate (PubChem CID 5353031) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate
PubChem CID5353031
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC/C=C/Cl
InChIInChI=1S/C11H17ClO2/c12-8-3-9-14-11(13)7-6-10-4-1-2-5-10/h3,8,10H,1-2,4-7,9H2/b8-3+
InChIKeyQXWNSXGSUGCIHO-FPYGCLRLSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate?
The IUPAC name of [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate (CID 5353031) is [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate?
The canonical SMILES for [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OC/C=C/Cl.
What is the InChIKey of [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate?
The InChIKey is QXWNSXGSUGCIHO-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H17ClO2/c12-8-3-9-14-11(13)7-6-10-4-1-2-5-10/h3,8,10H,1-2,4-7,9H2/b8-3+.
What are the key properties of [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate?
[(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate has a molecular weight of 216.71 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-chloroprop-2-enyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 5353031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).