propan-2-yl 2-cyclopentylprop-2-enoate

C11H18O2 — CID 174719332

IUPACpropan-2-yl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)13-11(12)9(3)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyCSLXPQVZHMKQCY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.68
Rot. Bonds3

About propan-2-yl 2-cyclopentylprop-2-enoate

propan-2-yl 2-cyclopentylprop-2-enoate (PubChem CID 174719332) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is propan-2-yl 2-cyclopentylprop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl 2-cyclopentylprop-2-enoate
PubChem CID174719332
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namepropan-2-yl 2-cyclopentylprop-2-enoate
SMILESC=C(C(=O)OC(C)C)C1CCCC1
InChIInChI=1S/C11H18O2/c1-8(2)13-11(12)9(3)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyCSLXPQVZHMKQCY-UHFFFAOYSA-N
XLogP2.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.68
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 propan-2-yl 2-cyclopentylprop-2-enoate?
The IUPAC name of propan-2-yl 2-cyclopentylprop-2-enoate (CID 174719332) is propan-2-yl 2-cyclopentylprop-2-enoate.
What is the SMILES notation for propan-2-yl 2-cyclopentylprop-2-enoate?
The canonical SMILES for propan-2-yl 2-cyclopentylprop-2-enoate is C=C(C(=O)OC(C)C)C1CCCC1.
What is the InChIKey of propan-2-yl 2-cyclopentylprop-2-enoate?
The InChIKey is CSLXPQVZHMKQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)13-11(12)9(3)10-6-4-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of propan-2-yl 2-cyclopentylprop-2-enoate?
propan-2-yl 2-cyclopentylprop-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-cyclopentylprop-2-enoate is sourced from PubChem (CID 174719332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).