[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

C15H22O4 — CID 22023867

IUPAC[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)COC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C15H22O4/c1-14(2,3)19-12(16)9-18-13(17)15(4)8-10-5-6-11(15)7-10/h5-6,10-11H,7-9H2,1-4H3
InChIKeyZHVMTQIDTVCYGH-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.47
Rot. Bonds3

About [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (PubChem CID 22023867) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
PubChem CID22023867
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
SMILESCC(C)(C)OC(=O)COC(=O)C1(C)CC2C=CC1C2
InChIInChI=1S/C15H22O4/c1-14(2,3)19-12(16)9-18-13(17)15(4)8-10-5-6-11(15)7-10/h5-6,10-11H,7-9H2,1-4H3
InChIKeyZHVMTQIDTVCYGH-UHFFFAOYSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Oxiranecarboxylic acid, 3-bicyclo[2.2.1]hept-5-en-2-yl-3-methyl-, methyl ester
CID 166246
Ethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 21922344
(6S)-6-methylspiro[1,4-dioxane-3,5'-bicyclo[2.2.1]hept-2-ene]-2,5-dione
CID 58003185
[2-[4-(Difluoromethyl)-1,1,1,3,3,5,5,5-octafluoro-4-hydroxypentan-2-yl]oxy-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58789597
2-Fluoroethyl 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 140068385
2-[2-(Bicyclo[2.2.1]hept-5-ene-2-carbonyloxy)ethoxycarbonyl]-1,1,1,3,3,3-hexafluoropropan-2-olate
CID 162509209
Diethyl 3-methylbicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CID 272789
2-Ethyl 2-methyl bicyclo[2.2.1]hept-5-ene-2,2-dicarboxylate
CID 12548505
Tert-butyl 2-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxoacetate
CID 14926792
2-Ethoxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 22620656
2-Methoxyethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 69429153
Ethyl (1s,4r)-2-(7,7-dimethyl-4-vinylbicyclo-[2.2.1]hept-2-en-2-yl)-2-oxoacetate
CID 12989625

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate (CID 22023867) is [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is CC(C)(C)OC(=O)COC(=O)C1(C)CC2C=CC1C2.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
The InChIKey is ZHVMTQIDTVCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2,3)19-12(16)9-18-13(17)15(4)8-10-5-6-11(15)7-10/h5-6,10-11H,7-9H2,1-4H3.
What are the key properties of [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate?
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate is sourced from PubChem (CID 22023867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).