methoxymethane;methyl 2-oxobut-3-enoate;propane

C10H20O4 — CID 178123671

IUPACmethoxymethane;methyl 2-oxobut-3-enoate;propane
SMILESC=CC(=O)C(=O)OC.CCC.COC
InChIInChI=1S/C5H6O3.C3H8.C2H6O/c1-3-4(6)5(7)8-2;2*1-3-2/h3H,1H2,2H3;3H2,1-2H3;1-2H3
InChIKeyMPMXTVADFHLQRT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.59
Rot. Bonds2

About methoxymethane;methyl 2-oxobut-3-enoate;propane

methoxymethane;methyl 2-oxobut-3-enoate;propane (PubChem CID 178123671) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is methoxymethane;methyl 2-oxobut-3-enoate;propane.

Molecular Properties

Compound Namemethoxymethane;methyl 2-oxobut-3-enoate;propane
PubChem CID178123671
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Namemethoxymethane;methyl 2-oxobut-3-enoate;propane
SMILESC=CC(=O)C(=O)OC.CCC.COC
InChIInChI=1S/C5H6O3.C3H8.C2H6O/c1-3-4(6)5(7)8-2;2*1-3-2/h3H,1H2,2H3;3H2,1-2H3;1-2H3
InChIKeyMPMXTVADFHLQRT-UHFFFAOYSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(methyl prop-2-enoate);propane
CID 160610529
methyl 4-ethoxy-2-oxobut-3-enoate
CID 54443622
(4E)-4-methoxyhepta-1,4-dien-3-one
CID 90944896
dimethyl (Z)-2,5-dioxohex-3-enedioate
CID 139974198
ethane;methyl (E)-2-ethenylpent-2-enoate
CID 142289174
methoxymethane;prop-2-enoic acid
CID 22665045
dimethoxymethane;methyl prop-2-enoate
CID 162245850
methyl (2E)-2-(prop-2-enoyloxymethylidene)butanoate
CID 141179196
methyl 4-butoxy-2-oxobut-3-enoate
CID 72805302
methyl 2-methylidenebut-3-enoate;(E)-pent-2-ene
CID 145190703
methyl 5-ethenoxy-2-methylidenepentanoate
CID 23505086
dimethyl oxalate
CID 11120

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 2-oxobut-3-enoate;propane?
The IUPAC name of methoxymethane;methyl 2-oxobut-3-enoate;propane (CID 178123671) is methoxymethane;methyl 2-oxobut-3-enoate;propane.
What is the SMILES notation for methoxymethane;methyl 2-oxobut-3-enoate;propane?
The canonical SMILES for methoxymethane;methyl 2-oxobut-3-enoate;propane is C=CC(=O)C(=O)OC.CCC.COC.
What is the InChIKey of methoxymethane;methyl 2-oxobut-3-enoate;propane?
The InChIKey is MPMXTVADFHLQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O3.C3H8.C2H6O/c1-3-4(6)5(7)8-2;2*1-3-2/h3H,1H2,2H3;3H2,1-2H3;1-2H3.
What are the key properties of methoxymethane;methyl 2-oxobut-3-enoate;propane?
methoxymethane;methyl 2-oxobut-3-enoate;propane has a molecular weight of 204.27 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 2-oxobut-3-enoate;propane is sourced from PubChem (CID 178123671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).