[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate

C17H24O3 — CID 134171372

IUPAC[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)C1(C)C=C2CCC(CC2)CC1
InChIInChI=1S/C17H24O3/c1-12(2)16(19)20-11-15(18)17(3)9-8-13-4-6-14(10-17)7-5-13/h10,13H,1,4-9,11H2,2-3H3/b14-10-
InChIKeyGILCZDCOVBMJPB-UVTDQMKNSA-N
MW276.38 g/mol
LogP3.59
Rot. Bonds4

About [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate

[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 134171372) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID134171372
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)C1(C)C=C2CCC(CC2)CC1
InChIInChI=1S/C17H24O3/c1-12(2)16(19)20-11-15(18)17(3)9-8-13-4-6-14(10-17)7-5-13/h10,13H,1,4-9,11H2,2-3H3/b14-10-
InChIKeyGILCZDCOVBMJPB-UVTDQMKNSA-N
XLogP3.59
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate (CID 134171372) is [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)C1(C)C=C2CCC(CC2)CC1.
What is the InChIKey of [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is GILCZDCOVBMJPB-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H24O3/c1-12(2)16(19)20-11-15(18)17(3)9-8-13-4-6-14(10-17)7-5-13/h10,13H,1,4-9,11H2,2-3H3/b14-10-.
What are the key properties of [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate?
[2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 276.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-3-bicyclo[4.2.2]dec-1-enyl)-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134171372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).