2-cyclopentylpropan-2-yl 2-methylprop-2-enoate

C12H20O2 — CID 59130085

IUPAC2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCC1
InChIInChI=1S/C12H20O2/c1-9(2)11(13)14-12(3,4)10-7-5-6-8-10/h10H,1,5-8H2,2-4H3
InChIKeyBIJSKSNGNYIDQN-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.07
Rot. Bonds3

About 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate

2-cyclopentylpropan-2-yl 2-methylprop-2-enoate (PubChem CID 59130085) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
PubChem CID59130085
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C1CCCC1
InChIInChI=1S/C12H20O2/c1-9(2)11(13)14-12(3,4)10-7-5-6-8-10/h10H,1,5-8H2,2-4H3
InChIKeyBIJSKSNGNYIDQN-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
2-cyclohexylpropan-2-yl hydroxy carbonate
CID 23207841
2-(3,3-difluorocyclopentyl)propan-2-yl 2-methylprop-2-enoate
CID 155355016
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
CID 164803622
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
2-(7-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propan-2-yl 2-methylprop-2-enoate
CID 89474757
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-(8-tricyclo[5.2.1.02,6]decanyl)propan-2-yl 2-methylprop-2-enoate
CID 22898239
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
acetonitrile;2-(4-tert-butylcyclohexyl)propan-2-ol;2-(4-tert-butylcyclohexyl)propan-2-yl 2-methylprop-2-enoate;methane;2-methylprop-2-enoyl chloride
CID 158054179
2-piperidin-1-ium-4-ylpropan-2-yl 2-fluoroprop-2-enoate
CID 167316028

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate (CID 59130085) is 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C1CCCC1.
What is the InChIKey of 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate?
The InChIKey is BIJSKSNGNYIDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)11(13)14-12(3,4)10-7-5-6-8-10/h10H,1,5-8H2,2-4H3.
What are the key properties of 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate?
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate has a molecular weight of 196.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 59130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).