[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate

C14H22O3 — CID 139968266

IUPAC[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCC(CC2CO2)C1
InChIInChI=1S/C14H22O3/c1-10(2)14(15)17-8-12-5-3-4-11(6-12)7-13-9-16-13/h11-13H,1,3-9H2,2H3
InChIKeyJRWNNDVOPVLILR-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds5

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

[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate (PubChem CID 139968266) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate
PubChem CID139968266
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC1CCCC(CC2CO2)C1
InChIInChI=1S/C14H22O3/c1-10(2)14(15)17-8-12-5-3-4-11(6-12)7-13-9-16-13/h11-13H,1,3-9H2,2H3
InChIKeyJRWNNDVOPVLILR-UHFFFAOYSA-N
XLogP2.70
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
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'}

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Related Compounds

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159462145
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
oxepan-4-ylmethyl 2-methylprop-2-enoate
CID 89126138
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
3-methylbut-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158470137
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
(4-methylcyclohexyl)methyl 2-methylprop-2-enoate
CID 22737447

Frequently Asked Questions

What is the IUPAC name of [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The IUPAC name of [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate (CID 139968266) is [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC1CCCC(CC2CO2)C1.
What is the InChIKey of [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
The InChIKey is JRWNNDVOPVLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)14(15)17-8-12-5-3-4-11(6-12)7-13-9-16-13/h11-13H,1,3-9H2,2H3.
What are the key properties of [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate?
[3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate has a molecular weight of 238.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxiran-2-ylmethyl)cyclohexyl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 139968266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).