propyl (E)-3-cyclopentylprop-2-enoate

C11H18O2 — CID 10679014

IUPACpropyl (E)-3-cyclopentylprop-2-enoate
SMILESCCCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3/b8-7+
InChIKeyJJDLXORRHNDLFJ-BQYQJAHWSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About propyl (E)-3-cyclopentylprop-2-enoate

propyl (E)-3-cyclopentylprop-2-enoate (PubChem CID 10679014) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is propyl (E)-3-cyclopentylprop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-cyclopentylprop-2-enoate
PubChem CID10679014
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namepropyl (E)-3-cyclopentylprop-2-enoate
SMILESCCCOC(=O)/C=C/C1CCCC1
InChIInChI=1S/C11H18O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3/b8-7+
InChIKeyJJDLXORRHNDLFJ-BQYQJAHWSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.69
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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Related Compounds

propyl (E)-3-cyclohexylprop-2-enoate
CID 10750409
ethyl 3-cyclobutylprop-2-enoate
CID 54090850
propyl (E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoate
CID 67864368
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001
2-methylpropyl (E)-3-cycloheptylprop-2-enoate
CID 11629960
(E)-1-cyclohexylhex-1-en-3-one
CID 14869895
3-phenylpropyl (E)-3-cyclopentylprop-2-enoate
CID 10634969
propyl 3-(2-hydroxycyclohexyl)oxyprop-2-enoate
CID 135383641
methyl (E)-3-cyclobutylprop-2-enoate
CID 79872692
propyl 3-aminoprop-2-enoate
CID 154061664
1-O-propyl 4-O-silyl but-2-enedioate
CID 154277223
strontium bis((E)-4-oxo-4-propoxybut-2-enoate)
CID 11524184

Frequently Asked Questions

What is the IUPAC name of propyl (E)-3-cyclopentylprop-2-enoate?
The IUPAC name of propyl (E)-3-cyclopentylprop-2-enoate (CID 10679014) is propyl (E)-3-cyclopentylprop-2-enoate.
What is the SMILES notation for propyl (E)-3-cyclopentylprop-2-enoate?
The canonical SMILES for propyl (E)-3-cyclopentylprop-2-enoate is CCCOC(=O)/C=C/C1CCCC1.
What is the InChIKey of propyl (E)-3-cyclopentylprop-2-enoate?
The InChIKey is JJDLXORRHNDLFJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-9-13-11(12)8-7-10-5-3-4-6-10/h7-8,10H,2-6,9H2,1H3/b8-7+.
What are the key properties of propyl (E)-3-cyclopentylprop-2-enoate?
propyl (E)-3-cyclopentylprop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-cyclopentylprop-2-enoate is sourced from PubChem (CID 10679014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).