1-methoxy-3-prop-2-enoxypropan-2-one

C7H12O3 — CID 24823865

IUPAC1-methoxy-3-prop-2-enoxypropan-2-one
SMILESC=CCOCC(=O)COC
InChIInChI=1S/C7H12O3/c1-3-4-10-6-7(8)5-9-2/h3H,1,4-6H2,2H3
InChIKeyXOQMXNJZAPESFJ-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.40
Rot. Bonds6

About 1-methoxy-3-prop-2-enoxypropan-2-one

1-methoxy-3-prop-2-enoxypropan-2-one (PubChem CID 24823865) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 1-methoxy-3-prop-2-enoxypropan-2-one.

Molecular Properties

Compound Name1-methoxy-3-prop-2-enoxypropan-2-one
PubChem CID24823865
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name1-methoxy-3-prop-2-enoxypropan-2-one
SMILESC=CCOCC(=O)COC
InChIInChI=1S/C7H12O3/c1-3-4-10-6-7(8)5-9-2/h3H,1,4-6H2,2H3
InChIKeyXOQMXNJZAPESFJ-UHFFFAOYSA-N
XLogP0.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-en-1-yloxy)propan-2-one
CID 10909536
2-Propen-1-yl 2-oxopropanoate
CID 14790534
1-[(E)-but-2-enoxy]propan-2-one
CID 62277294
1-Prop-2-enoxybutan-2-one
CID 10080414
1,3-Bis(prop-2-enoxy)propan-2-one
CID 14710514
1-But-2-enoxypropan-2-one
CID 57062452
1-Hydroxy-3-prop-2-enoxypropan-2-one
CID 88562092
1-But-3-en-2-yloxypropan-2-one
CID 88849350
1-[(Z)-4-methoxybut-2-enoxy]propan-2-one
CID 90334139
1-Penta-1,4-dien-3-yloxypropan-2-one
CID 91456526
(3S)-3-prop-2-enoxybutan-2-one
CID 93497619
(113C)prop-2-enyl 2-oxopropanoate
CID 175750558

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-prop-2-enoxypropan-2-one?
The IUPAC name of 1-methoxy-3-prop-2-enoxypropan-2-one (CID 24823865) is 1-methoxy-3-prop-2-enoxypropan-2-one.
What is the SMILES notation for 1-methoxy-3-prop-2-enoxypropan-2-one?
The canonical SMILES for 1-methoxy-3-prop-2-enoxypropan-2-one is C=CCOCC(=O)COC.
What is the InChIKey of 1-methoxy-3-prop-2-enoxypropan-2-one?
The InChIKey is XOQMXNJZAPESFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-4-10-6-7(8)5-9-2/h3H,1,4-6H2,2H3.
What are the key properties of 1-methoxy-3-prop-2-enoxypropan-2-one?
1-methoxy-3-prop-2-enoxypropan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-prop-2-enoxypropan-2-one is sourced from PubChem (CID 24823865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).