2,3-dimethylbutanedioate

C6H8O4-2 — CID 22173943

IUPAC2,3-dimethylbutanedioate
SMILESCC(C(=O)[O-])C(C)C(=O)[O-]
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/p-2
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-L
MW144.13 g/mol
LogP-2.24
Rot. Bonds3

About 2,3-dimethylbutanedioate

2,3-dimethylbutanedioate (PubChem CID 22173943) has the molecular formula C6H8O4-2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2,3-dimethylbutanedioate.

Molecular Properties

Compound Name2,3-dimethylbutanedioate
PubChem CID22173943
Molecular FormulaC6H8O4-2
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name2,3-dimethylbutanedioate
SMILESCC(C(=O)[O-])C(C)C(=O)[O-]
InChIInChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/p-2
InChIKeyKLZYRCVPDWTZLH-UHFFFAOYSA-L
XLogP-2.24
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutanedioate?
The IUPAC name of 2,3-dimethylbutanedioate (CID 22173943) is 2,3-dimethylbutanedioate.
What is the SMILES notation for 2,3-dimethylbutanedioate?
The canonical SMILES for 2,3-dimethylbutanedioate is CC(C(=O)[O-])C(C)C(=O)[O-].
What is the InChIKey of 2,3-dimethylbutanedioate?
The InChIKey is KLZYRCVPDWTZLH-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H10O4/c1-3(5(7)8)4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)/p-2.
What are the key properties of 2,3-dimethylbutanedioate?
2,3-dimethylbutanedioate has a molecular weight of 144.13 g/mol, XLogP of -2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanedioate is sourced from PubChem (CID 22173943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).