methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate

C13H18O6 — CID 72623247

IUPACmethyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C=C1CCC2(CC1C(=O)OC)OCCO2
InChIInChI=1S/C13H18O6/c1-16-11(14)7-9-3-4-13(18-5-6-19-13)8-10(9)12(15)17-2/h7,10H,3-6,8H2,1-2H3
InChIKeyOXZBCHGJRXJJAI-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.80
Rot. Bonds2

About methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate

methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 72623247) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID72623247
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Namemethyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C=C1CCC2(CC1C(=O)OC)OCCO2
InChIInChI=1S/C13H18O6/c1-16-11(14)7-9-3-4-13(18-5-6-19-13)8-10(9)12(15)17-2/h7,10H,3-6,8H2,1-2H3
InChIKeyOXZBCHGJRXJJAI-UHFFFAOYSA-N
XLogP0.80
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(6R,9E,11aS)-11a-ethoxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-2,5-dione
CID 145958855
Methyl 9-methyl-8-oxo-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylate
CID 134155166
(3S,7R,9E,11R)-10-methyl-6-methylidene-4,12-dioxatricyclo[9.2.2.03,7]pentadeca-1(14),9-diene-5,13-dione
CID 21669933
(3S,7R,9Z,11R)-10-methyl-6-methylidene-4,12-dioxatricyclo[9.2.2.03,7]pentadeca-1(14),9-diene-5,13-dione
CID 101643019
(3S,7S,9Z,11S)-10-methyl-6-methylidene-4,12-dioxatricyclo[9.2.2.03,7]pentadeca-1(14),9-diene-5,13-dione
CID 162884599
Pertilide
CID 5477867
methyl (7E)-1,4-dioxaspiro[4.7]dodec-7-ene-7-carboxylate
CID 13296490
(3E)-5-cyclohexyl-3-ethylideneoxolan-2-one
CID 102084247
1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxylic acid, 8-(2-methoxycarbonylethyl)-, methyl ester
CID 559925
(9E)-10-methyl-6-methylidene-4,12-dioxatricyclo[9.2.2.03,7]pentadeca-1(14),9-diene-5,13-dione
CID 5364342
Ethyl 8-methyl-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 14377556
Mjqxpynupryndn-oibjuyfysa-
CID 23241492

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 72623247) is methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)C=C1CCC2(CC1C(=O)OC)OCCO2.
What is the InChIKey of methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is OXZBCHGJRXJJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-16-11(14)7-9-3-4-13(18-5-6-19-13)8-10(9)12(15)17-2/h7,10H,3-6,8H2,1-2H3.
What are the key properties of methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate?
methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 270.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2-methoxy-2-oxoethylidene)-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 72623247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).