methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

C11H16O5 — CID 15287604

IUPACmethyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1(C)CC2(CCC1=O)OCCO2
InChIInChI=1S/C11H16O5/c1-10(9(13)14-2)7-11(4-3-8(10)12)15-5-6-16-11/h3-7H2,1-2H3
InChIKeyXLWOSTJXXMABTA-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.66
Rot. Bonds1

About methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate

methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (PubChem CID 15287604) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
PubChem CID15287604
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Namemethyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
SMILESCOC(=O)C1(C)CC2(CCC1=O)OCCO2
InChIInChI=1S/C11H16O5/c1-10(9(13)14-2)7-11(4-3-8(10)12)15-5-6-16-11/h3-7H2,1-2H3
InChIKeyXLWOSTJXXMABTA-UHFFFAOYSA-N
XLogP0.66
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7,7-Dimethyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11171389
Methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 4088708
Ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 559688
Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 372311
Methyl 8-oxo-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11118603
Ethyl 5,5-ethylenedioxy-1-methyl-2-oxocyclohexanecarboxylate
CID 12363320
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
CID 567367
1-(6-Acetyl-1,4-dioxaspiro[4.5]decan-6-yl)propan-2-one
CID 11776431
3,7,10-Trioxadispiro[4.0.46.45]tetradecan-4-one
CID 269579
Methyl 6-(2-acetyloxyethyl)-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 270370
Ethyl 9-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 289580
7,7-Bis-hydroxymethyl-1,4-dioxaspiro[4.5]decan-8-one
CID 567221

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The IUPAC name of methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate (CID 15287604) is methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is COC(=O)C1(C)CC2(CCC1=O)OCCO2.
What is the InChIKey of methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
The InChIKey is XLWOSTJXXMABTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-10(9(13)14-2)7-11(4-3-8(10)12)15-5-6-16-11/h3-7H2,1-2H3.
What are the key properties of methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate?
methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate has a molecular weight of 228.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 15287604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).