(Z)-3-hydroxy-5-methoxypent-3-en-2-one

C6H10O3 — CID 6439831

IUPAC(Z)-3-hydroxy-5-methoxypent-3-en-2-one
SMILESCOC/C=C(\O)C(C)=O
InChIInChI=1S/C6H10O3/c1-5(7)6(8)3-4-9-2/h3,8H,4H2,1-2H3/b6-3-
InChIKeyZBTNPNKOTNZYQZ-UTCJRWHESA-N
MW130.14 g/mol
LogP0.66
Rot. Bonds3

About (Z)-3-hydroxy-5-methoxypent-3-en-2-one

(Z)-3-hydroxy-5-methoxypent-3-en-2-one (PubChem CID 6439831) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (Z)-3-hydroxy-5-methoxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-hydroxy-5-methoxypent-3-en-2-one
PubChem CID6439831
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(Z)-3-hydroxy-5-methoxypent-3-en-2-one
SMILESCOC/C=C(\O)C(C)=O
InChIInChI=1S/C6H10O3/c1-5(7)6(8)3-4-9-2/h3,8H,4H2,1-2H3/b6-3-
InChIKeyZBTNPNKOTNZYQZ-UTCJRWHESA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-5-methoxypent-3-en-2-one?
The IUPAC name of (Z)-3-hydroxy-5-methoxypent-3-en-2-one (CID 6439831) is (Z)-3-hydroxy-5-methoxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-hydroxy-5-methoxypent-3-en-2-one?
The canonical SMILES for (Z)-3-hydroxy-5-methoxypent-3-en-2-one is COC/C=C(\O)C(C)=O.
What is the InChIKey of (Z)-3-hydroxy-5-methoxypent-3-en-2-one?
The InChIKey is ZBTNPNKOTNZYQZ-UTCJRWHESA-N. The full InChI is InChI=1S/C6H10O3/c1-5(7)6(8)3-4-9-2/h3,8H,4H2,1-2H3/b6-3-.
What are the key properties of (Z)-3-hydroxy-5-methoxypent-3-en-2-one?
(Z)-3-hydroxy-5-methoxypent-3-en-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-5-methoxypent-3-en-2-one is sourced from PubChem (CID 6439831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).