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

C9H17AsO4 — CID 13124175

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
SMILESCOC(=O)CC[As](C)CCC(=O)OC
InChIInChI=1S/C9H17AsO4/c1-10(6-4-8(11)13-2)7-5-9(12)14-3/h4-7H2,1-3H3
InChIKeyAHLSYQWCZARVEA-UHFFFAOYSA-N
MW264.15 g/mol
LogP1.24
Rot. Bonds6

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

methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate (PubChem CID 13124175) has the molecular formula C9H17AsO4 and a molecular weight of 264.15 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
PubChem CID13124175
Molecular FormulaC9H17AsO4
Molecular Weight264.15 g/mol
Exact Mass264.03
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
SMILESCOC(=O)CC[As](C)CCC(=O)OC
InChIInChI=1S/C9H17AsO4/c1-10(6-4-8(11)13-2)7-5-9(12)14-3/h4-7H2,1-3H3
InChIKeyAHLSYQWCZARVEA-UHFFFAOYSA-N
XLogP1.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-oxobutanoate
CID 6930703
methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
CID 173417413
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate (CID 13124175) is methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate is COC(=O)CC[As](C)CCC(=O)OC.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate?
The InChIKey is AHLSYQWCZARVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17AsO4/c1-10(6-4-8(11)13-2)7-5-9(12)14-3/h4-7H2,1-3H3.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate?
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate has a molecular weight of 264.15 g/mol, XLogP of 1.24, 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)-methylarsanyl]propanoate is sourced from PubChem (CID 13124175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).