(E)-5-methoxy-3-methylhex-3-en-2-one

C8H14O2 — CID 87291247

IUPAC(E)-5-methoxy-3-methylhex-3-en-2-one
SMILESCOC(C)/C=C(\C)C(C)=O
InChIInChI=1S/C8H14O2/c1-6(8(3)9)5-7(2)10-4/h5,7H,1-4H3/b6-5+
InChIKeyKIFBWPKHCHYBNE-AATRIKPKSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds3

About (E)-5-methoxy-3-methylhex-3-en-2-one

(E)-5-methoxy-3-methylhex-3-en-2-one (PubChem CID 87291247) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (E)-5-methoxy-3-methylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-5-methoxy-3-methylhex-3-en-2-one
PubChem CID87291247
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(E)-5-methoxy-3-methylhex-3-en-2-one
SMILESCOC(C)/C=C(\C)C(C)=O
InChIInChI=1S/C8H14O2/c1-6(8(3)9)5-7(2)10-4/h5,7H,1-4H3/b6-5+
InChIKeyKIFBWPKHCHYBNE-AATRIKPKSA-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

5,5-dimethoxy-3-methylpent-3-en-2-one
CID 154128160
(Z)-5-bromo-3-methylhex-3-en-2-one
CID 163966272
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-3-en-2-one
CID 42643391
(E)-5-chloro-3-methylhex-3-en-2-one
CID 13403112
4-(1-methoxyethoxy)-2-methylpent-2-enoic acid
CID 173009855
4-methoxy-2-methylsulfanylpent-2-ene
CID 123603413
2-ethoxy-4-methoxypent-2-ene
CID 123609081
5-hydroxy-3,8-dimethylnon-3-en-2-one
CID 91315796
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
(E)-3,5-dimethylhex-3-en-2-one;methane;3-methylbutanoic acid
CID 161004203
(E)-3-methylpent-3-en-2-one;(Z)-3-methylpent-3-en-2-one
CID 101043004
1-methoxyethanamine;2-oxopropanoic acid
CID 174574648

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-3-methylhex-3-en-2-one?
The IUPAC name of (E)-5-methoxy-3-methylhex-3-en-2-one (CID 87291247) is (E)-5-methoxy-3-methylhex-3-en-2-one.
What is the SMILES notation for (E)-5-methoxy-3-methylhex-3-en-2-one?
The canonical SMILES for (E)-5-methoxy-3-methylhex-3-en-2-one is COC(C)/C=C(\C)C(C)=O.
What is the InChIKey of (E)-5-methoxy-3-methylhex-3-en-2-one?
The InChIKey is KIFBWPKHCHYBNE-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(8(3)9)5-7(2)10-4/h5,7H,1-4H3/b6-5+.
What are the key properties of (E)-5-methoxy-3-methylhex-3-en-2-one?
(E)-5-methoxy-3-methylhex-3-en-2-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 (E)-5-methoxy-3-methylhex-3-en-2-one is sourced from PubChem (CID 87291247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).