[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate

C10H20O2Si — CID 165029131

IUPAC[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate
SMILESC=C[Si](C)(C)COC(=O)CC(C)C
InChIInChI=1S/C10H20O2Si/c1-6-13(4,5)8-12-10(11)7-9(2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyINKBZHGIKFSRJQ-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.55
Rot. Bonds5

About [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate

[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate (PubChem CID 165029131) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate.

Molecular Properties

Compound Name[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate
PubChem CID165029131
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate
SMILESC=C[Si](C)(C)COC(=O)CC(C)C
InChIInChI=1S/C10H20O2Si/c1-6-13(4,5)8-12-10(11)7-9(2)3/h6,9H,1,7-8H2,2-5H3
InChIKeyINKBZHGIKFSRJQ-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.55
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

sulfanyl 3-methylbutanoate
CID 22000008
2-prop-2-enoyloxypropyl 3-methylbutanoate
CID 170544082
[(2E)-2-ethenylpenta-2,4-dienyl] 3-methylbutanoate
CID 164591650
formyloxymethyl 3-methylbutanoate
CID 19964796
methyl 2-[ethenyl(dimethyl)silyl]acetate
CID 139840129
3-(1-hydroxyprop-2-enylamino)propyl 3-methylbutanoate
CID 134504883
bis(3-methylbutanoyloxy)methyl 3-methylbutanoate
CID 167684168
3-methylbutaneperoxoic acid;hydrate
CID 174845588
2-(2-ethoxyethoxy)ethyl 3-methylbutanoate
CID 91696182
nonyl 3-methylbutanoate
CID 5463914
sulfino 3-methylbutanoate
CID 91281138
[(Z)-oct-4-enyl] 3-methylbutanoate
CID 5352818

Frequently Asked Questions

What is the IUPAC name of [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate?
The IUPAC name of [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate (CID 165029131) is [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate.
What is the SMILES notation for [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate?
The canonical SMILES for [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate is C=C[Si](C)(C)COC(=O)CC(C)C.
What is the InChIKey of [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate?
The InChIKey is INKBZHGIKFSRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-13(4,5)8-12-10(11)7-9(2)3/h6,9H,1,7-8H2,2-5H3.
What are the key properties of [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate?
[ethenyl(dimethyl)silyl]methyl 3-methylbutanoate has a molecular weight of 200.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethenyl(dimethyl)silyl]methyl 3-methylbutanoate is sourced from PubChem (CID 165029131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).