methyl 3-chlorosilylpropanoate

C4H9ClO2Si — CID 123403734

IUPACmethyl 3-chlorosilylpropanoate
SMILESCOC(=O)CC[SiH2]Cl
InChIInChI=1S/C4H9ClO2Si/c1-7-4(6)2-3-8-5/h2-3,8H2,1H3
InChIKeyHWBLAQMAACUCAX-UHFFFAOYSA-N
MW152.65 g/mol
LogP0.29
Rot. Bonds3

About methyl 3-chlorosilylpropanoate

methyl 3-chlorosilylpropanoate (PubChem CID 123403734) has the molecular formula C4H9ClO2Si and a molecular weight of 152.65 g/mol. Its IUPAC name is methyl 3-chlorosilylpropanoate.

Molecular Properties

Compound Namemethyl 3-chlorosilylpropanoate
PubChem CID123403734
Molecular FormulaC4H9ClO2Si
Molecular Weight152.65 g/mol
Exact Mass152.01
IUPAC Namemethyl 3-chlorosilylpropanoate
SMILESCOC(=O)CC[SiH2]Cl
InChIInChI=1S/C4H9ClO2Si/c1-7-4(6)2-3-8-5/h2-3,8H2,1H3
InChIKeyHWBLAQMAACUCAX-UHFFFAOYSA-N
XLogP0.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.65
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 4-chloro(111C)butanoate
CID 11579134
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323
CID 59259624
CID 59259624
methyl butanoate;tetrahydrochloride
CID 173289582
dimethyl hexanedioate;molecular hydrogen
CID 173272620

Frequently Asked Questions

What is the IUPAC name of methyl 3-chlorosilylpropanoate?
The IUPAC name of methyl 3-chlorosilylpropanoate (CID 123403734) is methyl 3-chlorosilylpropanoate.
What is the SMILES notation for methyl 3-chlorosilylpropanoate?
The canonical SMILES for methyl 3-chlorosilylpropanoate is COC(=O)CC[SiH2]Cl.
What is the InChIKey of methyl 3-chlorosilylpropanoate?
The InChIKey is HWBLAQMAACUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9ClO2Si/c1-7-4(6)2-3-8-5/h2-3,8H2,1H3.
What are the key properties of methyl 3-chlorosilylpropanoate?
methyl 3-chlorosilylpropanoate has a molecular weight of 152.65 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chlorosilylpropanoate is sourced from PubChem (CID 123403734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).