[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate

C12H18O3 — CID 141303889

IUPAC[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C2CO2)C1
InChIInChI=1S/C12H18O3/c1-8(2)12(13)15-10-5-3-4-9(6-10)11-7-14-11/h9-11H,1,3-7H2,2H3
InChIKeyMMDSZKVVDZFSKG-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds3

About [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate

[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 141303889) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID141303889
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCC(C2CO2)C1
InChIInChI=1S/C12H18O3/c1-8(2)12(13)15-10-5-3-4-9(6-10)11-7-14-11/h9-11H,1,3-7H2,2H3
InChIKeyMMDSZKVVDZFSKG-UHFFFAOYSA-N
XLogP2.06
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(oxiran-2-yl)cyclohexyl] 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

[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
(3-propan-2-ylcyclohexyl) 2-methylprop-2-enoate
CID 118603756
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230504
cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enamide
CID 174857281
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
[3-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]cyclohexyl] 2-methylprop-2-enoate
CID 166687996
(6-methyloxan-3-yl) 2-methylprop-2-enoate
CID 129192147
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118

Frequently Asked Questions

What is the IUPAC name of [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate (CID 141303889) is [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCC(C2CO2)C1.
What is the InChIKey of [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is MMDSZKVVDZFSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)12(13)15-10-5-3-4-9(6-10)11-7-14-11/h9-11H,1,3-7H2,2H3.
What are the key properties of [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate?
[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 210.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141303889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).