2,3-dihydroxy-4-methylpent-3-enoic acid

C6H10O4 — CID 21297227

IUPAC2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCC(C)=C(O)C(O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10)
InChIKeySFHVKDIVGZIGDJ-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.28
Rot. Bonds2

About 2,3-dihydroxy-4-methylpent-3-enoic acid

2,3-dihydroxy-4-methylpent-3-enoic acid (PubChem CID 21297227) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2,3-dihydroxy-4-methylpent-3-enoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-4-methylpent-3-enoic acid
PubChem CID21297227
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name2,3-dihydroxy-4-methylpent-3-enoic acid
SMILESCC(C)=C(O)C(O)C(=O)O
InChIInChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10)
InChIKeySFHVKDIVGZIGDJ-UHFFFAOYSA-N
XLogP0.28
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-4-methylpent-3-enoic acid?
The IUPAC name of 2,3-dihydroxy-4-methylpent-3-enoic acid (CID 21297227) is 2,3-dihydroxy-4-methylpent-3-enoic acid.
What is the SMILES notation for 2,3-dihydroxy-4-methylpent-3-enoic acid?
The canonical SMILES for 2,3-dihydroxy-4-methylpent-3-enoic acid is CC(C)=C(O)C(O)C(=O)O.
What is the InChIKey of 2,3-dihydroxy-4-methylpent-3-enoic acid?
The InChIKey is SFHVKDIVGZIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c1-3(2)4(7)5(8)6(9)10/h5,7-8H,1-2H3,(H,9,10).
What are the key properties of 2,3-dihydroxy-4-methylpent-3-enoic acid?
2,3-dihydroxy-4-methylpent-3-enoic acid has a molecular weight of 146.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-4-methylpent-3-enoic acid is sourced from PubChem (CID 21297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).