5-hydroxy-2-methylidenehex-5-enoic acid

C7H10O3 — CID 87089770

IUPAC5-hydroxy-2-methylidenehex-5-enoic acid
SMILESC=C(O)CCC(=C)C(=O)O
InChIInChI=1S/C7H10O3/c1-5(7(9)10)3-4-6(2)8/h8H,1-4H2,(H,9,10)
InChIKeyHHQIOAQPHWLVSD-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.48
Rot. Bonds4

About 5-hydroxy-2-methylidenehex-5-enoic acid

5-hydroxy-2-methylidenehex-5-enoic acid (PubChem CID 87089770) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-hydroxy-2-methylidenehex-5-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylidenehex-5-enoic acid
PubChem CID87089770
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-hydroxy-2-methylidenehex-5-enoic acid
SMILESC=C(O)CCC(=C)C(=O)O
InChIInChI=1S/C7H10O3/c1-5(7(9)10)3-4-6(2)8/h8H,1-4H2,(H,9,10)
InChIKeyHHQIOAQPHWLVSD-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylidenehex-5-enoic acid?
The IUPAC name of 5-hydroxy-2-methylidenehex-5-enoic acid (CID 87089770) is 5-hydroxy-2-methylidenehex-5-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methylidenehex-5-enoic acid?
The canonical SMILES for 5-hydroxy-2-methylidenehex-5-enoic acid is C=C(O)CCC(=C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylidenehex-5-enoic acid?
The InChIKey is HHQIOAQPHWLVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-5(7(9)10)3-4-6(2)8/h8H,1-4H2,(H,9,10).
What are the key properties of 5-hydroxy-2-methylidenehex-5-enoic acid?
5-hydroxy-2-methylidenehex-5-enoic acid has a molecular weight of 142.15 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylidenehex-5-enoic acid is sourced from PubChem (CID 87089770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).