(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate

C13H18O4 — CID 131854230

IUPAC(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H18O4/c1-9(2)11(14)16-10-8-13(17-12(10)15)6-4-3-5-7-13/h10H,1,3-8H2,2H3
InChIKeyZRZSUOMUUQBMKS-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.12
Rot. Bonds2

About (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate

(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate (PubChem CID 131854230) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
PubChem CID131854230
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2(CCCCC2)OC1=O
InChIInChI=1S/C13H18O4/c1-9(2)11(14)16-10-8-13(17-12(10)15)6-4-3-5-7-13/h10H,1,3-8H2,2H3
InChIKeyZRZSUOMUUQBMKS-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-oxo-1-oxaspiro[4.5]decan-3-yl) 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

3-methyl-1-oxaspiro[4.4]nonan-2-one
CID 11804975
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
CID 177499786
CID 177499786
(1-oxospiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 20731195
(3-oxospiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-1,1'-cyclopentane]-5-yl) 2-methylprop-2-enoate
CID 20731211
2-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-yl)ethyl 2-methylprop-2-enoate
CID 118067437
(2-propan-2-ylidenecyclopentyl) 2-methylprop-2-enoate
CID 90261948
diethyl 2-(2-oxo-1-oxaspiro[4.5]decan-3-yl)propanedioate
CID 86037806
methyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-7-carboxylate
CID 139915882
(1-hydroxy-2,5-dioxopyrrolidin-3-yl) 2-methylprop-2-enoate
CID 139300005
(1-tert-butylcyclopentyl) 2-methylprop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate
CID 170853355
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate (CID 131854230) is (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2(CCCCC2)OC1=O.
What is the InChIKey of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
The InChIKey is ZRZSUOMUUQBMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)11(14)16-10-8-13(17-12(10)15)6-4-3-5-7-13/h10H,1,3-8H2,2H3.
What are the key properties of (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate?
(2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate has a molecular weight of 238.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-oxaspiro[4.5]decan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 131854230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).