4-hydroxy-3-methylidenepent-4-enoic acid

C6H8O3 — CID 89312002

IUPAC4-hydroxy-3-methylidenepent-4-enoic acid
SMILESC=C(O)C(=C)CC(=O)O
InChIInChI=1S/C6H8O3/c1-4(5(2)7)3-6(8)9/h7H,1-3H2,(H,8,9)
InChIKeyXGPFDKINJWDPAF-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.09
Rot. Bonds3

About 4-hydroxy-3-methylidenepent-4-enoic acid

4-hydroxy-3-methylidenepent-4-enoic acid (PubChem CID 89312002) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-hydroxy-3-methylidenepent-4-enoic acid.

Molecular Properties

Compound Name4-hydroxy-3-methylidenepent-4-enoic acid
PubChem CID89312002
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-hydroxy-3-methylidenepent-4-enoic acid
SMILESC=C(O)C(=C)CC(=O)O
InChIInChI=1S/C6H8O3/c1-4(5(2)7)3-6(8)9/h7H,1-3H2,(H,8,9)
InChIKeyXGPFDKINJWDPAF-UHFFFAOYSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylidenepent-4-enoic acid?
The IUPAC name of 4-hydroxy-3-methylidenepent-4-enoic acid (CID 89312002) is 4-hydroxy-3-methylidenepent-4-enoic acid.
What is the SMILES notation for 4-hydroxy-3-methylidenepent-4-enoic acid?
The canonical SMILES for 4-hydroxy-3-methylidenepent-4-enoic acid is C=C(O)C(=C)CC(=O)O.
What is the InChIKey of 4-hydroxy-3-methylidenepent-4-enoic acid?
The InChIKey is XGPFDKINJWDPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4(5(2)7)3-6(8)9/h7H,1-3H2,(H,8,9).
What are the key properties of 4-hydroxy-3-methylidenepent-4-enoic acid?
4-hydroxy-3-methylidenepent-4-enoic acid has a molecular weight of 128.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylidenepent-4-enoic acid is sourced from PubChem (CID 89312002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).