2-methoxy-5-methylhex-4-en-3-one

C8H14O2 — CID 79617248

IUPAC2-methoxy-5-methylhex-4-en-3-one
SMILESCOC(C)C(=O)C=C(C)C
InChIInChI=1S/C8H14O2/c1-6(2)5-8(9)7(3)10-4/h5,7H,1-4H3
InChIKeyZERCKZSPANAWAX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds3

About 2-methoxy-5-methylhex-4-en-3-one

2-methoxy-5-methylhex-4-en-3-one (PubChem CID 79617248) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-methoxy-5-methylhex-4-en-3-one.

Molecular Properties

Compound Name2-methoxy-5-methylhex-4-en-3-one
PubChem CID79617248
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-methoxy-5-methylhex-4-en-3-one
SMILESCOC(C)C(=O)C=C(C)C
InChIInChI=1S/C8H14O2/c1-6(2)5-8(9)7(3)10-4/h5,7H,1-4H3
InChIKeyZERCKZSPANAWAX-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2,5-dimethylhex-4-en-3-one
CID 130028350
2,6-dimethyl-5-propan-2-ylhept-2-en-4-one
CID 174864844
1,1-diethoxy-4-methylpent-3-en-2-one
CID 79496236
2-methoxypropanoic acid;titanium
CID 175177225
2-methoxypropanoic acid;zirconium
CID 174567743
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
3-methoxybutan-2-one
CID 59816302
dimethyl carbonate;ethane
CID 160632176
dimethyl 2-(6-methyl-4-oxohept-5-en-2-yl)propanedioate
CID 15063821
4-methoxy-2,3-dimethylpent-2-enal
CID 91559061
methyl [(E)-4-oxopent-2-en-2-yl] carbonate
CID 10351945
N-(1-methoxyethoxy)acetamide
CID 142626911

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methylhex-4-en-3-one?
The IUPAC name of 2-methoxy-5-methylhex-4-en-3-one (CID 79617248) is 2-methoxy-5-methylhex-4-en-3-one.
What is the SMILES notation for 2-methoxy-5-methylhex-4-en-3-one?
The canonical SMILES for 2-methoxy-5-methylhex-4-en-3-one is COC(C)C(=O)C=C(C)C.
What is the InChIKey of 2-methoxy-5-methylhex-4-en-3-one?
The InChIKey is ZERCKZSPANAWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)5-8(9)7(3)10-4/h5,7H,1-4H3.
What are the key properties of 2-methoxy-5-methylhex-4-en-3-one?
2-methoxy-5-methylhex-4-en-3-one has a molecular weight of 142.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylhex-4-en-3-one is sourced from PubChem (CID 79617248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).