dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate

C15H24O6 — CID 10661939

IUPACdimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C15H24O6/c1-9-10(2)21-15(20-9)7-5-6-11(8-15)12(13(16)18-3)14(17)19-4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyJZPGAXBGXURYAM-GMTAPVOTSA-N
MW300.35 g/mol
LogP1.66
Rot. Bonds3

About dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate

dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate (PubChem CID 10661939) has the molecular formula C15H24O6 and a molecular weight of 300.35 g/mol. Its IUPAC name is dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
PubChem CID10661939
Molecular FormulaC15H24O6
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Namedimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
SMILESCOC(=O)C(C(=O)OC)[C@@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2
InChIInChI=1S/C15H24O6/c1-9-10(2)21-15(20-9)7-5-6-11(8-15)12(13(16)18-3)14(17)19-4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m1/s1
InChIKeyJZPGAXBGXURYAM-GMTAPVOTSA-N
XLogP1.66
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate with MolForge

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Related Compounds

Methyl 3-(1,4-dioxaspiro[4.5]dec-6-yl)propanoate
CID 3791580
methyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]acetate
CID 11506757
dimethyl 2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate
CID 67511086
Dimethyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanedioate
CID 67511089
8-O-ethyl 8-O'-fluoro 1,4-dioxaspiro[4.5]decane-8,8-dicarboxylate
CID 144500134
1,4-Dioxaspiro(4.5)decane-8-carboxylic acid, 7-oxo-, ethyl ester
CID 58997723
Methyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)acetate
CID 67511443
Ethyl 3-(1,4-dioxaspiro[4.5]decan-6-yl)propanoate
CID 10562135
methyl (1'S,4'aS,7'aR)-1'-methyl-3'-oxospiro[1,3-dioxolane-2,6'-1,4,4a,5,7,7a-hexahydrocyclopenta[c]pyran]-4'-carboxylate
CID 14467430
Tert-butyl 2-(1,4-dioxaspiro[4.5]decan-7-yl)propanoate
CID 85424235
trimethyl (3S,3aR,7aS)-3a,4,5,6,7,7a-hexahydro-3H-2-benzofuran-1,1,3-tricarboxylate
CID 102529609
Ethyl 7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]octane-4-carboxylate
CID 540246

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The IUPAC name of dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate (CID 10661939) is dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate.
What is the SMILES notation for dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The canonical SMILES for dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate is COC(=O)C(C(=O)OC)[C@@H]1CCCC2(C1)O[C@H](C)[C@@H](C)O2.
What is the InChIKey of dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
The InChIKey is JZPGAXBGXURYAM-GMTAPVOTSA-N. The full InChI is InChI=1S/C15H24O6/c1-9-10(2)21-15(20-9)7-5-6-11(8-15)12(13(16)18-3)14(17)19-4/h9-12H,5-8H2,1-4H3/t9-,10-,11-/m1/s1.
What are the key properties of dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate?
dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate has a molecular weight of 300.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(2R,3R,7R)-2,3-dimethyl-1,4-dioxaspiro[4.5]decan-7-yl]propanedioate is sourced from PubChem (CID 10661939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).