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Methyl 4-(methoxymethylphosphinyl)-2,2,4-trimethyl-3-oxopentanoate

HCID 97539
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
32674-72-9
Standard SMILES
COC(=O)C(C)(C)C(=O)C(C)(C)P(C)(=O)OC
InChIKey
AUQMJOGZCWKRMW-UHFFFAOYSA-N
Molecular formula
C11H21O5P
Average molar mass
264.25 g/mol
Monoisotopic mass
264.11266076

Names & identifiers

Preferred name
Methyl 4-(methoxymethylphosphinyl)-2,2,4-trimethyl-3-oxopentanoate
IUPAC
methyl 4-[methoxy(methyl)phosphoryl]-2,2,4-trimethyl-3-oxopentanoate
English name
4-[Methoxy(methyl)phosphinyl]-2,2,4-trimethyl-3-oxovaleric acid methyl ester
Molecular formula
C11H21O5P
Molecular weight
264.26

Names & synonyms

32674-72-9Pentanoic acid, 4-(methoxymethylphosphinyl)-2,2,4-trimethyl-3-oxo-, methyl esterEA27A3S2NR4-(p-Methoxy-p-methylphosphinyl)-3-oxo-2,2,4-trimethylvaleric acid methyl esterNSC-131283Methyl 4-((methoxy)methylphosphinyl)-2,2,4-trimethyl-3-oxovalerateValeric acid, 4-(p-methoxy-p-methylphosphinyl)-3-oxo-2,2,4-trimethyl-, methyl esterMethyl 4-(methoxymethylphosphinyl)-2,2,4-trimethyl-3-oxopentanoateRefChem:1089452methyl 4-[methoxy(methyl)phosphoryl]-2,2,4-trimethyl-3-oxopentanoateMethyl 4-(methoxy(methyl)phosphoryl)-2,2,4-trimethyl-3-oxopentanoateNSC131283
Show more names
4-[Methoxy(methyl)phosphinyl]-3-oxo-2,2,4-trimethylvaleric acid methyl ester4-[Methoxy(methyl)phosphinyl]-2,2,4-trimethyl-3-oxovaleric acid methyl ester
NSC 131283BRN 2278736UNII-EA27A3S2NRDTXSID301384872DB-262850Valeric acid,2,4-trimethyl-, methyl esterPentanoic acid,2,4-trimethyl-3-oxo-, methyl esterMethyl 4-[(methoxy)methylphosphinyl]-2,4-trimethyl-3-oxovalerate

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17
Formal charge
0
Complexity
370

Physicochemical properties

FDA UNII
27 A3S2NR · EA27A3S2NR

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes

Database identifiers

CAS
32674-72-9
PubChem CID
97539
DTXSID
DTXSID301384872
UNII
EA27A3S2NR
Nikkaji
J49.619G