(Z)-4-hydroxy-5-methylhex-3-en-2-one

C7H12O2 — CID 5367921

IUPAC(Z)-4-hydroxy-5-methylhex-3-en-2-one
SMILESCC(=O)/C=C(\O)C(C)C
InChIInChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h4-5,9H,1-3H3/b7-4-
InChIKeyUTTSDKCNJMWXSK-DAXSKMNVSA-N
MW128.17 g/mol
LogP1.67
Rot. Bonds2

About (Z)-4-hydroxy-5-methylhex-3-en-2-one

(Z)-4-hydroxy-5-methylhex-3-en-2-one (PubChem CID 5367921) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (Z)-4-hydroxy-5-methylhex-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-hydroxy-5-methylhex-3-en-2-one
PubChem CID5367921
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(Z)-4-hydroxy-5-methylhex-3-en-2-one
SMILESCC(=O)/C=C(\O)C(C)C
InChIInChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h4-5,9H,1-3H3/b7-4-
InChIKeyUTTSDKCNJMWXSK-DAXSKMNVSA-N
XLogP1.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 (Z)-4-hydroxy-5-methylhex-3-en-2-one?
The IUPAC name of (Z)-4-hydroxy-5-methylhex-3-en-2-one (CID 5367921) is (Z)-4-hydroxy-5-methylhex-3-en-2-one.
What is the SMILES notation for (Z)-4-hydroxy-5-methylhex-3-en-2-one?
The canonical SMILES for (Z)-4-hydroxy-5-methylhex-3-en-2-one is CC(=O)/C=C(\O)C(C)C.
What is the InChIKey of (Z)-4-hydroxy-5-methylhex-3-en-2-one?
The InChIKey is UTTSDKCNJMWXSK-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H12O2/c1-5(2)7(9)4-6(3)8/h4-5,9H,1-3H3/b7-4-.
What are the key properties of (Z)-4-hydroxy-5-methylhex-3-en-2-one?
(Z)-4-hydroxy-5-methylhex-3-en-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxy-5-methylhex-3-en-2-one is sourced from PubChem (CID 5367921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).