methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate

C9H17O4P — CID 15272438

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate
SMILESCOC(=O)CCP(C)CCC(=O)OC
InChIInChI=1S/C9H17O4P/c1-12-8(10)4-6-14(3)7-5-9(11)13-2/h4-7H2,1-3H3
InChIKeyQVZGVDSXUVQMPL-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.22
Rot. Bonds6

About methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate

methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate (PubChem CID 15272438) has the molecular formula C9H17O4P and a molecular weight of 220.20 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate
PubChem CID15272438
Molecular FormulaC9H17O4P
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate
SMILESCOC(=O)CCP(C)CCC(=O)OC
InChIInChI=1S/C9H17O4P/c1-12-8(10)4-6-14(3)7-5-9(11)13-2/h4-7H2,1-3H3
InChIKeyQVZGVDSXUVQMPL-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid
CID 71420350
dimethyl hexanedioate;stannane
CID 173290076
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
methyl 3-[[4-[bis(3-methoxy-3-oxopropyl)phosphanylmethyl]-2,3,5,6-tetramethylphenyl]methyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoate
CID 88822967
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl butanoate;tetrahydrochloride
CID 173289582
chromium;methyl butanoate
CID 174781983
methane;methyl 3-hydroxypropanoate
CID 165023436

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate (CID 15272438) is methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate is COC(=O)CCP(C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate?
The InChIKey is QVZGVDSXUVQMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O4P/c1-12-8(10)4-6-14(3)7-5-9(11)13-2/h4-7H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate has a molecular weight of 220.20 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-methylphosphanyl]propanoate is sourced from PubChem (CID 15272438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).