2,3-dimethylbutane-2,3-diol;formic acid

C7H16O4 — CID 57352201

IUPAC2,3-dimethylbutane-2,3-diol;formic acid
SMILESCC(C)(O)C(C)(C)O.O=CO
InChIInChI=1S/C6H14O2.CH2O2/c1-5(2,7)6(3,4)8;2-1-3/h7-8H,1-4H3;1H,(H,2,3)
InChIKeySTFKLCGSMXSHKZ-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.23
Rot. Bonds1

About 2,3-dimethylbutane-2,3-diol;formic acid

2,3-dimethylbutane-2,3-diol;formic acid (PubChem CID 57352201) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,3-dimethylbutane-2,3-diol;formic acid.

Molecular Properties

Compound Name2,3-dimethylbutane-2,3-diol;formic acid
PubChem CID57352201
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2,3-dimethylbutane-2,3-diol;formic acid
SMILESCC(C)(O)C(C)(C)O.O=CO
InChIInChI=1S/C6H14O2.CH2O2/c1-5(2,7)6(3,4)8;2-1-3/h7-8H,1-4H3;1H,(H,2,3)
InChIKeySTFKLCGSMXSHKZ-UHFFFAOYSA-N
XLogP0.23
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutane-2,3-diol;formic acid?
The IUPAC name of 2,3-dimethylbutane-2,3-diol;formic acid (CID 57352201) is 2,3-dimethylbutane-2,3-diol;formic acid.
What is the SMILES notation for 2,3-dimethylbutane-2,3-diol;formic acid?
The canonical SMILES for 2,3-dimethylbutane-2,3-diol;formic acid is CC(C)(O)C(C)(C)O.O=CO.
What is the InChIKey of 2,3-dimethylbutane-2,3-diol;formic acid?
The InChIKey is STFKLCGSMXSHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.CH2O2/c1-5(2,7)6(3,4)8;2-1-3/h7-8H,1-4H3;1H,(H,2,3).
What are the key properties of 2,3-dimethylbutane-2,3-diol;formic acid?
2,3-dimethylbutane-2,3-diol;formic acid has a molecular weight of 164.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutane-2,3-diol;formic acid is sourced from PubChem (CID 57352201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).