5,5-dihydroxy-2-methylidenepent-4-enoic acid

C6H8O4 — CID 87724268

IUPAC5,5-dihydroxy-2-methylidenepent-4-enoic acid
SMILESC=C(CC=C(O)O)C(=O)O
InChIInChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h3,7-8H,1-2H2,(H,9,10)
InChIKeySZKASCGJXXTVII-UHFFFAOYSA-N
MW144.13 g/mol
LogP0.97
Rot. Bonds3

About 5,5-dihydroxy-2-methylidenepent-4-enoic acid

5,5-dihydroxy-2-methylidenepent-4-enoic acid (PubChem CID 87724268) has the molecular formula C6H8O4 and a molecular weight of 144.13 g/mol. Its IUPAC name is 5,5-dihydroxy-2-methylidenepent-4-enoic acid.

Molecular Properties

Compound Name5,5-dihydroxy-2-methylidenepent-4-enoic acid
PubChem CID87724268
Molecular FormulaC6H8O4
Molecular Weight144.13 g/mol
Exact Mass144.04
IUPAC Name5,5-dihydroxy-2-methylidenepent-4-enoic acid
SMILESC=C(CC=C(O)O)C(=O)O
InChIInChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h3,7-8H,1-2H2,(H,9,10)
InChIKeySZKASCGJXXTVII-UHFFFAOYSA-N
XLogP0.97
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethene;2-methylidenepent-4-enoic acid
CID 174232070
5-methylidene-2-tridecylhex-2-enedioic acid
CID 88738704
(4E)-2-methylideneocta-4,7-dienoic acid
CID 135037319
(2H)chlorane;2-methylidenebutanoic acid
CID 159149807
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
ethene;ethenoxyethene;2-methylidenebutanedioic acid
CID 173139326
2-methylideneheptacos-4-enoic acid
CID 54443390
2-methylideneheptadec-4-enoic acid
CID 87108825
methane;2-methylidenebutanedioic acid
CID 158038738
2-methylidenebutanedioic acid;zirconium
CID 158245785
2,11-dimethylidenedodecanedioic acid
CID 20542368

Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxy-2-methylidenepent-4-enoic acid?
The IUPAC name of 5,5-dihydroxy-2-methylidenepent-4-enoic acid (CID 87724268) is 5,5-dihydroxy-2-methylidenepent-4-enoic acid.
What is the SMILES notation for 5,5-dihydroxy-2-methylidenepent-4-enoic acid?
The canonical SMILES for 5,5-dihydroxy-2-methylidenepent-4-enoic acid is C=C(CC=C(O)O)C(=O)O.
What is the InChIKey of 5,5-dihydroxy-2-methylidenepent-4-enoic acid?
The InChIKey is SZKASCGJXXTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h3,7-8H,1-2H2,(H,9,10).
What are the key properties of 5,5-dihydroxy-2-methylidenepent-4-enoic acid?
5,5-dihydroxy-2-methylidenepent-4-enoic acid has a molecular weight of 144.13 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxy-2-methylidenepent-4-enoic acid is sourced from PubChem (CID 87724268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).