methyl 4-dichlorosilylbutanoate

C5H10Cl2O2Si — CID 173011036

IUPACmethyl 4-dichlorosilylbutanoate
SMILESCOC(=O)CCC[SiH](Cl)Cl
InChIInChI=1S/C5H10Cl2O2Si/c1-9-5(8)3-2-4-10(6)7/h10H,2-4H2,1H3
InChIKeyXMFFHODOFPQTFX-UHFFFAOYSA-N
MW201.12 g/mol
LogP1.64
Rot. Bonds4

About methyl 4-dichlorosilylbutanoate

methyl 4-dichlorosilylbutanoate (PubChem CID 173011036) has the molecular formula C5H10Cl2O2Si and a molecular weight of 201.12 g/mol. Its IUPAC name is methyl 4-dichlorosilylbutanoate.

Molecular Properties

Compound Namemethyl 4-dichlorosilylbutanoate
PubChem CID173011036
Molecular FormulaC5H10Cl2O2Si
Molecular Weight201.12 g/mol
Exact Mass199.98
IUPAC Namemethyl 4-dichlorosilylbutanoate
SMILESCOC(=O)CCC[SiH](Cl)Cl
InChIInChI=1S/C5H10Cl2O2Si/c1-9-5(8)3-2-4-10(6)7/h10H,2-4H2,1H3
InChIKeyXMFFHODOFPQTFX-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 51.64
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 dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl 4-chloro(111C)butanoate
CID 11579134
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
methyl 14-hydroxytetradecanoate
CID 13245690
dimethyl 6,7-dioxododecanedioate
CID 71343651
methyl 10-aminodecanoate
CID 10655700

Frequently Asked Questions

What is the IUPAC name of methyl 4-dichlorosilylbutanoate?
The IUPAC name of methyl 4-dichlorosilylbutanoate (CID 173011036) is methyl 4-dichlorosilylbutanoate.
What is the SMILES notation for methyl 4-dichlorosilylbutanoate?
The canonical SMILES for methyl 4-dichlorosilylbutanoate is COC(=O)CCC[SiH](Cl)Cl.
What is the InChIKey of methyl 4-dichlorosilylbutanoate?
The InChIKey is XMFFHODOFPQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2Si/c1-9-5(8)3-2-4-10(6)7/h10H,2-4H2,1H3.
What are the key properties of methyl 4-dichlorosilylbutanoate?
methyl 4-dichlorosilylbutanoate has a molecular weight of 201.12 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-dichlorosilylbutanoate is sourced from PubChem (CID 173011036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).