(E)-5-hydroxy-2-methoxypent-3-enoic acid

C6H10O4 — CID 57173639

IUPAC(E)-5-hydroxy-2-methoxypent-3-enoic acid
SMILESCOC(/C=C/CO)C(=O)O
InChIInChI=1S/C6H10O4/c1-10-5(6(8)9)3-2-4-7/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+
InChIKeyCTCKZTYJXVHHJH-NSCUHMNNSA-N
MW146.14 g/mol
LogP-0.37
Rot. Bonds4

About (E)-5-hydroxy-2-methoxypent-3-enoic acid

(E)-5-hydroxy-2-methoxypent-3-enoic acid (PubChem CID 57173639) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methoxypent-3-enoic acid.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methoxypent-3-enoic acid
PubChem CID57173639
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(E)-5-hydroxy-2-methoxypent-3-enoic acid
SMILESCOC(/C=C/CO)C(=O)O
InChIInChI=1S/C6H10O4/c1-10-5(6(8)9)3-2-4-7/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+
InChIKeyCTCKZTYJXVHHJH-NSCUHMNNSA-N
XLogP-0.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methoxypent-3-enoic acid?
The IUPAC name of (E)-5-hydroxy-2-methoxypent-3-enoic acid (CID 57173639) is (E)-5-hydroxy-2-methoxypent-3-enoic acid.
What is the SMILES notation for (E)-5-hydroxy-2-methoxypent-3-enoic acid?
The canonical SMILES for (E)-5-hydroxy-2-methoxypent-3-enoic acid is COC(/C=C/CO)C(=O)O.
What is the InChIKey of (E)-5-hydroxy-2-methoxypent-3-enoic acid?
The InChIKey is CTCKZTYJXVHHJH-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O4/c1-10-5(6(8)9)3-2-4-7/h2-3,5,7H,4H2,1H3,(H,8,9)/b3-2+.
What are the key properties of (E)-5-hydroxy-2-methoxypent-3-enoic acid?
(E)-5-hydroxy-2-methoxypent-3-enoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methoxypent-3-enoic acid is sourced from PubChem (CID 57173639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).