methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate

C8H16GeO4 — CID 173417413

IUPACmethyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
SMILESCOC(=O)CC[GeH2]CCC(=O)OC
InChIInChI=1S/C8H16GeO4/c1-12-7(10)3-5-9-6-4-8(11)13-2/h3-6,9H2,1-2H3
InChIKeyBLEYSZQBYQBWTF-UHFFFAOYSA-N
MW248.82 g/mol
LogP0.12
Rot. Bonds6

About methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate

methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate (PubChem CID 173417413) has the molecular formula C8H16GeO4 and a molecular weight of 248.82 g/mol. Its IUPAC name is methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
PubChem CID173417413
Molecular FormulaC8H16GeO4
Molecular Weight248.82 g/mol
Exact Mass250.03
IUPAC Namemethyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
SMILESCOC(=O)CC[GeH2]CCC(=O)OC
InChIInChI=1S/C8H16GeO4/c1-12-7(10)3-5-9-6-4-8(11)13-2/h3-6,9H2,1-2H3
InChIKeyBLEYSZQBYQBWTF-UHFFFAOYSA-N
XLogP0.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.82
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-oxobutanoate
CID 6930703
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175
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 hexanedioate;stannane
CID 173290076
dimethyl tricosanedioate
CID 12632762
4-O-ethyl 1-O-methyl butanedioate
CID 522068

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate?
The IUPAC name of methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate (CID 173417413) is methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate.
What is the SMILES notation for methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate?
The canonical SMILES for methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate is COC(=O)CC[GeH2]CCC(=O)OC.
What is the InChIKey of methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate?
The InChIKey is BLEYSZQBYQBWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16GeO4/c1-12-7(10)3-5-9-6-4-8(11)13-2/h3-6,9H2,1-2H3.
What are the key properties of methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate?
methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate has a molecular weight of 248.82 g/mol, XLogP of 0.12, 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)germylpropanoate is sourced from PubChem (CID 173417413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).