(E)-5-methoxy-4-methylpent-3-en-2-one

C7H12O2 — CID 24973969

IUPAC(E)-5-methoxy-4-methylpent-3-en-2-one
SMILESCOC/C(C)=C/C(C)=O
InChIInChI=1S/C7H12O2/c1-6(5-9-3)4-7(2)8/h4H,5H2,1-3H3/b6-4+
InChIKeyDHBYEEPXJVLNNR-GQCTYLIASA-N
MW128.17 g/mol
LogP1.17
Rot. Bonds3

About (E)-5-methoxy-4-methylpent-3-en-2-one

(E)-5-methoxy-4-methylpent-3-en-2-one (PubChem CID 24973969) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (E)-5-methoxy-4-methylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-methoxy-4-methylpent-3-en-2-one
PubChem CID24973969
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(E)-5-methoxy-4-methylpent-3-en-2-one
SMILESCOC/C(C)=C/C(C)=O
InChIInChI=1S/C7H12O2/c1-6(5-9-3)4-7(2)8/h4H,5H2,1-3H3/b6-4+
InChIKeyDHBYEEPXJVLNNR-GQCTYLIASA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.17
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

(Z)-4-methylhex-3-en-2-one
CID 12930146
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
(Z)-4,6,6-trimethylhept-3-en-2-one
CID 12636167
(E)-4,6-dimethylhept-3-en-2-one
CID 12956006
(2Z)-3-(methoxymethyl)-5-methylhexa-2,4-dienoic acid
CID 101175528
chloro-[(E)-2-methyl-4-oxopent-2-enyl]mercury
CID 134900574
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
methoxyethane;1-methoxypropan-2-one
CID 159894285
(Z)-5-bis[[(Z)-4-oxopent-2-en-2-yl]oxy]alumanyl-4-methylpent-3-en-2-one
CID 140811379
(Z)-3-iodo-4-methoxybut-2-enoic acid
CID 11060484

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-4-methylpent-3-en-2-one?
The IUPAC name of (E)-5-methoxy-4-methylpent-3-en-2-one (CID 24973969) is (E)-5-methoxy-4-methylpent-3-en-2-one.
What is the SMILES notation for (E)-5-methoxy-4-methylpent-3-en-2-one?
The canonical SMILES for (E)-5-methoxy-4-methylpent-3-en-2-one is COC/C(C)=C/C(C)=O.
What is the InChIKey of (E)-5-methoxy-4-methylpent-3-en-2-one?
The InChIKey is DHBYEEPXJVLNNR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H12O2/c1-6(5-9-3)4-7(2)8/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-5-methoxy-4-methylpent-3-en-2-one?
(E)-5-methoxy-4-methylpent-3-en-2-one has a molecular weight of 128.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-4-methylpent-3-en-2-one is sourced from PubChem (CID 24973969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).