dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate

C13H18O7 — CID 13234727

IUPACdimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(OC)C=CC12OCCCO2
InChIInChI=1S/C13H18O7/c1-16-9-5-6-12(19-7-4-8-20-12)13(9,10(14)17-2)11(15)18-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNQBSSVUIFIMESG-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.04
Rot. Bonds3

About dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate

dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate (PubChem CID 13234727) has the molecular formula C13H18O7 and a molecular weight of 286.28 g/mol. Its IUPAC name is dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
PubChem CID13234727
Molecular FormulaC13H18O7
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Namedimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(OC)C=CC12OCCCO2
InChIInChI=1S/C13H18O7/c1-16-9-5-6-12(19-7-4-8-20-12)13(9,10(14)17-2)11(15)18-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyNQBSSVUIFIMESG-UHFFFAOYSA-N
XLogP0.04
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,8-Dimethyl-7,9-dioxaspiro[4.5]dec-2-ene-6,10-dione
CID 11127177
dimethyl 2-[(E)-4-acetyloxybut-2-enyl]-2-prop-2-enylpropanedioate
CID 11391969
dimethyl 2-[(E,1R)-1-acetyloxy-4-methylpent-2-enyl]-2-methylpropanedioate
CID 15185853
dimethyl 2-[(E,1S)-1-acetyloxybut-2-enyl]-2-methylpropanedioate
CID 101109046
ethyl 2-[(1R,3R,5R)-3-ethenyl-8,8-dimethyl-2,9-dioxabicyclo[3.3.1]non-6-en-1-yl]acetate
CID 101360099
dimethyl 2-[(Z)-4-methoxycarbonyloxybut-2-enyl]-2-prop-2-enylpropanedioate
CID 135045392
dimethyl 2-[(E)-4-acetyloxybut-2-enyl]-2-[(E)-but-2-enyl]propanedioate
CID 135047815
diethyl 2-but-2-ynyl-2-[(E)-4-methoxycarbonyloxybut-2-enyl]propanedioate
CID 176431509
(2R,4R,5S,6S)-2-tert-butyl-4-methyl-6-[(E)-prop-1-enyl]-1,3-dioxane-5-carboxylic acid
CID 14739232
5-(1-Methoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 15355817
5-(1-Ethoxyprop-2-enyl)-2,2,5-trimethyl-1,3-dioxane-4,6-dione
CID 15355820
methyl 1'-oxospiro[1,3-dioxane-2,7'-4aH-cyclopenta[c]pyran]-7'a-carboxylate
CID 21670586

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The IUPAC name of dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate (CID 13234727) is dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate is COC(=O)C1(C(=O)OC)C(OC)C=CC12OCCCO2.
What is the InChIKey of dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
The InChIKey is NQBSSVUIFIMESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O7/c1-16-9-5-6-12(19-7-4-8-20-12)13(9,10(14)17-2)11(15)18-3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate?
dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate has a molecular weight of 286.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methoxy-6,10-dioxaspiro[4.5]dec-1-ene-4,4-dicarboxylate is sourced from PubChem (CID 13234727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).