2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate

C15H20O4 — CID 58887182

IUPAC2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C2CC3C1OC(=O)C3C2C
InChIInChI=1S/C15H20O4/c1-7(2)14(16)18-5-4-9-10-6-11-12(8(10)3)15(17)19-13(9)11/h8-13H,1,4-6H2,2-3H3
InChIKeyLYWLUDOZMPWTRN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.94
Rot. Bonds4

About 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate

2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate (PubChem CID 58887182) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
PubChem CID58887182
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1C2CC3C1OC(=O)C3C2C
InChIInChI=1S/C15H20O4/c1-7(2)14(16)18-5-4-9-10-6-11-12(8(10)3)15(17)19-13(9)11/h8-13H,1,4-6H2,2-3H3
InChIKeyLYWLUDOZMPWTRN-UHFFFAOYSA-N
XLogP1.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate with MolForge

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Related Compounds

9-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carboxylic acid
CID 88976206
methyl 2-[2-(2-methylprop-2-enoyloxy)ethoxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 126682089
(1S)-2-methyl-9-propyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 89125087
2-(5-oxooxolan-2-yl)ethyl 2-methylprop-2-enoate
CID 20736051
(1-tert-butylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 59372770
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
(1-propan-2-ylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 59372776
(1S,2R,3S,6R,7R,9S)-2-bromo-9-(hydroxymethyl)-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 98723623
[3-[(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-3-oxopropyl] 2,2-dimethylbutanoate
CID 58887118
(3S)-3-methyl-10-[[(2R,9S)-2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-9-yl]methyl]-6-oxatricyclo[5.2.1.04,8]decan-5-one
CID 146557622
2,2,4,4,4-pentafluorobutyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 58918610
3-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)propyl 2-methylprop-2-enoate
CID 130231792

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate (CID 58887182) is 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1C2CC3C1OC(=O)C3C2C.
What is the InChIKey of 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is LYWLUDOZMPWTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-7(2)14(16)18-5-4-9-10-6-11-12(8(10)3)15(17)19-13(9)11/h8-13H,1,4-6H2,2-3H3.
What are the key properties of 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 58887182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).