dimethyl 2-methoxyoxane-2,3-dicarboxylate

C10H16O6 — CID 156770328

IUPACdimethyl 2-methoxyoxane-2,3-dicarboxylate
SMILESCOC(=O)C1CCCOC1(OC)C(=O)OC
InChIInChI=1S/C10H16O6/c1-13-8(11)7-5-4-6-16-10(7,15-3)9(12)14-2/h7H,4-6H2,1-3H3
InChIKeyCHTYHZGEWYAQLA-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.10
Rot. Bonds3

About dimethyl 2-methoxyoxane-2,3-dicarboxylate

dimethyl 2-methoxyoxane-2,3-dicarboxylate (PubChem CID 156770328) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is dimethyl 2-methoxyoxane-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methoxyoxane-2,3-dicarboxylate
PubChem CID156770328
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Namedimethyl 2-methoxyoxane-2,3-dicarboxylate
SMILESCOC(=O)C1CCCOC1(OC)C(=O)OC
InChIInChI=1S/C10H16O6/c1-13-8(11)7-5-4-6-16-10(7,15-3)9(12)14-2/h7H,4-6H2,1-3H3
InChIKeyCHTYHZGEWYAQLA-UHFFFAOYSA-N
XLogP0.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
trans-methyl (1R,2R)-2-amino-2-methylcyclohexane-1-carboxylate
CID 96839903
cis-dimethyl (1S,3S)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 6542164
methyl 6-oxa-1-azaspiro[4.5]decane-4-carboxylate
CID 134920090
methyl 2-methoxyoxolane-2-carboxylate
CID 86060658
methyl (4R,5R,12R)-4-acetyl-7,10-dioxadispiro[4.0.46.25]dodecane-12-carboxylate
CID 101093489
dimethyl 1-(chloromethyl)cyclohexane-1,2-dicarboxylate
CID 13029056
ethane;methyl cyclohexanecarboxylate
CID 90871014
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
methyl 3-methoxy-2,2,3-trimethylcyclopentane-1-carboxylate
CID 58476988

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxyoxane-2,3-dicarboxylate?
The IUPAC name of dimethyl 2-methoxyoxane-2,3-dicarboxylate (CID 156770328) is dimethyl 2-methoxyoxane-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 2-methoxyoxane-2,3-dicarboxylate?
The canonical SMILES for dimethyl 2-methoxyoxane-2,3-dicarboxylate is COC(=O)C1CCCOC1(OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxyoxane-2,3-dicarboxylate?
The InChIKey is CHTYHZGEWYAQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-13-8(11)7-5-4-6-16-10(7,15-3)9(12)14-2/h7H,4-6H2,1-3H3.
What are the key properties of dimethyl 2-methoxyoxane-2,3-dicarboxylate?
dimethyl 2-methoxyoxane-2,3-dicarboxylate has a molecular weight of 232.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxyoxane-2,3-dicarboxylate is sourced from PubChem (CID 156770328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).