5-hydroxy-2,5-dimethylhex-1-en-3-one

C8H14O2 — CID 134235850

IUPAC5-hydroxy-2,5-dimethylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-6(2)7(9)5-8(3,4)10/h10H,1,5H2,2-4H3
InChIKeyARVHFDQFNAYKFT-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.29
Rot. Bonds3

About 5-hydroxy-2,5-dimethylhex-1-en-3-one

5-hydroxy-2,5-dimethylhex-1-en-3-one (PubChem CID 134235850) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-hydroxy-2,5-dimethylhex-1-en-3-one.

Molecular Properties

Compound Name5-hydroxy-2,5-dimethylhex-1-en-3-one
PubChem CID134235850
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-hydroxy-2,5-dimethylhex-1-en-3-one
SMILESC=C(C)C(=O)CC(C)(C)O
InChIInChI=1S/C8H14O2/c1-6(2)7(9)5-8(3,4)10/h10H,1,5H2,2-4H3
InChIKeyARVHFDQFNAYKFT-UHFFFAOYSA-N
XLogP1.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-hydroxy-2,5-dimethylhex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,5-dimethylhex-1-en-3-one?
The IUPAC name of 5-hydroxy-2,5-dimethylhex-1-en-3-one (CID 134235850) is 5-hydroxy-2,5-dimethylhex-1-en-3-one.
What is the SMILES notation for 5-hydroxy-2,5-dimethylhex-1-en-3-one?
The canonical SMILES for 5-hydroxy-2,5-dimethylhex-1-en-3-one is C=C(C)C(=O)CC(C)(C)O.
What is the InChIKey of 5-hydroxy-2,5-dimethylhex-1-en-3-one?
The InChIKey is ARVHFDQFNAYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)7(9)5-8(3,4)10/h10H,1,5H2,2-4H3.
What are the key properties of 5-hydroxy-2,5-dimethylhex-1-en-3-one?
5-hydroxy-2,5-dimethylhex-1-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,5-dimethylhex-1-en-3-one is sourced from PubChem (CID 134235850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).