2,2-dimethylbutanedioate;hydron

C6H10O4 — CID 173015377

IUPAC2,2-dimethylbutanedioate;hydron
SMILESCC(C)(CC(=O)[O-])C(=O)[O-].[H+].[H+]
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGOHPTLYPQCTZSE-UHFFFAOYSA-N
MW146.14 g/mol
LogP-1.87
Rot. Bonds3

About 2,2-dimethylbutanedioate;hydron

2,2-dimethylbutanedioate;hydron (PubChem CID 173015377) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,2-dimethylbutanedioate;hydron.

Molecular Properties

Compound Name2,2-dimethylbutanedioate;hydron
PubChem CID173015377
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,2-dimethylbutanedioate;hydron
SMILESCC(C)(CC(=O)[O-])C(=O)[O-].[H+].[H+]
InChIInChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChIKeyGOHPTLYPQCTZSE-UHFFFAOYSA-N
XLogP-1.87
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutanedioate;hydron?
The IUPAC name of 2,2-dimethylbutanedioate;hydron (CID 173015377) is 2,2-dimethylbutanedioate;hydron.
What is the SMILES notation for 2,2-dimethylbutanedioate;hydron?
The canonical SMILES for 2,2-dimethylbutanedioate;hydron is CC(C)(CC(=O)[O-])C(=O)[O-].[H+].[H+].
What is the InChIKey of 2,2-dimethylbutanedioate;hydron?
The InChIKey is GOHPTLYPQCTZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10).
What are the key properties of 2,2-dimethylbutanedioate;hydron?
2,2-dimethylbutanedioate;hydron has a molecular weight of 146.14 g/mol, XLogP of -1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutanedioate;hydron is sourced from PubChem (CID 173015377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).