methyl 3-dimethylsilylpropanoate

C6H14O2Si — CID 165087400

IUPACmethyl 3-dimethylsilylpropanoate
SMILESCOC(=O)CC[SiH](C)C
InChIInChI=1S/C6H14O2Si/c1-8-6(7)4-5-9(2)3/h9H,4-5H2,1-3H3
InChIKeyWCVVLOFWGYQFJA-UHFFFAOYSA-N
MW146.26 g/mol
LogP1.04
Rot. Bonds3

About methyl 3-dimethylsilylpropanoate

methyl 3-dimethylsilylpropanoate (PubChem CID 165087400) has the molecular formula C6H14O2Si and a molecular weight of 146.26 g/mol. Its IUPAC name is methyl 3-dimethylsilylpropanoate.

Molecular Properties

Compound Namemethyl 3-dimethylsilylpropanoate
PubChem CID165087400
Molecular FormulaC6H14O2Si
Molecular Weight146.26 g/mol
Exact Mass146.08
IUPAC Namemethyl 3-dimethylsilylpropanoate
SMILESCOC(=O)CC[SiH](C)C
InChIInChI=1S/C6H14O2Si/c1-8-6(7)4-5-9(2)3/h9H,4-5H2,1-3H3
InChIKeyWCVVLOFWGYQFJA-UHFFFAOYSA-N
XLogP1.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-dichlorosilylbutanoate
CID 173011036
methyl butanoate;tetrahydrochloride
CID 173289582
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methane;methyl 3-hydroxypropanoate
CID 165023436
chromium;methyl butanoate
CID 174781983
CID 59259624
CID 59259624

Frequently Asked Questions

What is the IUPAC name of methyl 3-dimethylsilylpropanoate?
The IUPAC name of methyl 3-dimethylsilylpropanoate (CID 165087400) is methyl 3-dimethylsilylpropanoate.
What is the SMILES notation for methyl 3-dimethylsilylpropanoate?
The canonical SMILES for methyl 3-dimethylsilylpropanoate is COC(=O)CC[SiH](C)C.
What is the InChIKey of methyl 3-dimethylsilylpropanoate?
The InChIKey is WCVVLOFWGYQFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2Si/c1-8-6(7)4-5-9(2)3/h9H,4-5H2,1-3H3.
What are the key properties of methyl 3-dimethylsilylpropanoate?
methyl 3-dimethylsilylpropanoate has a molecular weight of 146.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-dimethylsilylpropanoate is sourced from PubChem (CID 165087400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).