dimethyl 2-methoxybutanedioate

C7H12O5 — CID 521058

IUPACdimethyl 2-methoxybutanedioate
SMILESCOC(=O)CC(OC)C(=O)OC
InChIInChI=1S/C7H12O5/c1-10-5(7(9)12-3)4-6(8)11-2/h5H,4H2,1-3H3
InChIKeyCZGCYHISZCRQFR-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.26
Rot. Bonds4

About dimethyl 2-methoxybutanedioate

dimethyl 2-methoxybutanedioate (PubChem CID 521058) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is dimethyl 2-methoxybutanedioate.

Molecular Properties

Compound Namedimethyl 2-methoxybutanedioate
PubChem CID521058
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Namedimethyl 2-methoxybutanedioate
SMILESCOC(=O)CC(OC)C(=O)OC
InChIInChI=1S/C7H12O5/c1-10-5(7(9)12-3)4-6(8)11-2/h5H,4H2,1-3H3
InChIKeyCZGCYHISZCRQFR-UHFFFAOYSA-N
XLogP-0.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methoxybutanedioate?
The IUPAC name of dimethyl 2-methoxybutanedioate (CID 521058) is dimethyl 2-methoxybutanedioate.
What is the SMILES notation for dimethyl 2-methoxybutanedioate?
The canonical SMILES for dimethyl 2-methoxybutanedioate is COC(=O)CC(OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methoxybutanedioate?
The InChIKey is CZGCYHISZCRQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5/c1-10-5(7(9)12-3)4-6(8)11-2/h5H,4H2,1-3H3.
What are the key properties of dimethyl 2-methoxybutanedioate?
dimethyl 2-methoxybutanedioate has a molecular weight of 176.17 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methoxybutanedioate is sourced from PubChem (CID 521058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).