4-methoxy-3,5-dimethylhex-4-en-2-one

C9H16O2 — CID 59088279

IUPAC4-methoxy-3,5-dimethylhex-4-en-2-one
SMILESCOC(=C(C)C)C(C)C(C)=O
InChIInChI=1S/C9H16O2/c1-6(2)9(11-5)7(3)8(4)10/h7H,1-5H3
InChIKeyHQHLUXGJAVTEQZ-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds3

About 4-methoxy-3,5-dimethylhex-4-en-2-one

4-methoxy-3,5-dimethylhex-4-en-2-one (PubChem CID 59088279) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethylhex-4-en-2-one.

Molecular Properties

Compound Name4-methoxy-3,5-dimethylhex-4-en-2-one
PubChem CID59088279
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-methoxy-3,5-dimethylhex-4-en-2-one
SMILESCOC(=C(C)C)C(C)C(C)=O
InChIInChI=1S/C9H16O2/c1-6(2)9(11-5)7(3)8(4)10/h7H,1-5H3
InChIKeyHQHLUXGJAVTEQZ-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethylhex-4-en-2-one?
The IUPAC name of 4-methoxy-3,5-dimethylhex-4-en-2-one (CID 59088279) is 4-methoxy-3,5-dimethylhex-4-en-2-one.
What is the SMILES notation for 4-methoxy-3,5-dimethylhex-4-en-2-one?
The canonical SMILES for 4-methoxy-3,5-dimethylhex-4-en-2-one is COC(=C(C)C)C(C)C(C)=O.
What is the InChIKey of 4-methoxy-3,5-dimethylhex-4-en-2-one?
The InChIKey is HQHLUXGJAVTEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6(2)9(11-5)7(3)8(4)10/h7H,1-5H3.
What are the key properties of 4-methoxy-3,5-dimethylhex-4-en-2-one?
4-methoxy-3,5-dimethylhex-4-en-2-one has a molecular weight of 156.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethylhex-4-en-2-one is sourced from PubChem (CID 59088279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).