propyl 2-cyclopentylprop-2-enoate

C11H18O2 — CID 174733277

IUPACpropyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OCCC)C1CCCC1
InChIInChI=1S/C11H18O2/c1-3-8-13-11(12)9(2)10-6-4-5-7-10/h10H,2-8H2,1H3
InChIKeyVACFUEXIZQYKKX-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds4

About propyl 2-cyclopentylprop-2-enoate

propyl 2-cyclopentylprop-2-enoate (PubChem CID 174733277) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is propyl 2-cyclopentylprop-2-enoate.

Molecular Properties

Compound Namepropyl 2-cyclopentylprop-2-enoate
PubChem CID174733277
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namepropyl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OCCC)C1CCCC1
InChIInChI=1S/C11H18O2/c1-3-8-13-11(12)9(2)10-6-4-5-7-10/h10H,2-8H2,1H3
InChIKeyVACFUEXIZQYKKX-UHFFFAOYSA-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

2-(2-cyclohexylprop-2-enoyloxy)ethanesulfonic acid
CID 23028064
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
CID 69230771
propyl 2-pyrrolidin-1-ylprop-2-enoate
CID 146541157
butyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)prop-2-enoate
CID 175495478
methyl 2-cyclohexylprop-2-enoate;methyl 2-methylideneicosanoate
CID 174928874
propyl 2-bromoprop-2-enoate
CID 71576373
propyl 2-silylprop-2-enoate
CID 173152802
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-methylprop-1-ene;propyl 2-methylperoxycarbonylcyclohexane-1-carboxylate
CID 160929213
propyl 2-[cyclopentanecarbonyl(methyl)amino]acetate
CID 91692141
2-butoxycarbonyl-3,3-dicyclopentylprop-2-enoic acid
CID 137373680
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149

Frequently Asked Questions

What is the IUPAC name of propyl 2-cyclopentylprop-2-enoate?
The IUPAC name of propyl 2-cyclopentylprop-2-enoate (CID 174733277) is propyl 2-cyclopentylprop-2-enoate.
What is the SMILES notation for propyl 2-cyclopentylprop-2-enoate?
The canonical SMILES for propyl 2-cyclopentylprop-2-enoate is C=C(C(=O)OCCC)C1CCCC1.
What is the InChIKey of propyl 2-cyclopentylprop-2-enoate?
The InChIKey is VACFUEXIZQYKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8-13-11(12)9(2)10-6-4-5-7-10/h10H,2-8H2,1H3.
What are the key properties of propyl 2-cyclopentylprop-2-enoate?
propyl 2-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 2-cyclopentylprop-2-enoate is sourced from PubChem (CID 174733277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).