methylsilylmethyl 2-methylbutanoate

C7H16O2Si — CID 159920193

IUPACmethylsilylmethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC[SiH2]C
InChIInChI=1S/C7H16O2Si/c1-4-6(2)7(8)9-5-10-3/h6H,4-5,10H2,1-3H3
InChIKeyBJRMOCWCEJVPOY-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.75
Rot. Bonds4

About methylsilylmethyl 2-methylbutanoate

methylsilylmethyl 2-methylbutanoate (PubChem CID 159920193) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is methylsilylmethyl 2-methylbutanoate.

Molecular Properties

Compound Namemethylsilylmethyl 2-methylbutanoate
PubChem CID159920193
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Namemethylsilylmethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OC[SiH2]C
InChIInChI=1S/C7H16O2Si/c1-4-6(2)7(8)9-5-10-3/h6H,4-5,10H2,1-3H3
InChIKeyBJRMOCWCEJVPOY-UHFFFAOYSA-N
XLogP0.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.75
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

2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethane;ethyl 2-methylbutanoate
CID 144747106
propyl (2R)-2-methylbutanoate
CID 86306230
but-2-enyl 2-methylbutanoate
CID 3024251
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
CID 175450958
isocyanomethyl 2-methylbutanoate
CID 59266759
3-methylpentyl 2-methylbutanoate
CID 3019319
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
(4-methyl-3-oxohexyl) 2-methylbutanoate
CID 58175067

Frequently Asked Questions

What is the IUPAC name of methylsilylmethyl 2-methylbutanoate?
The IUPAC name of methylsilylmethyl 2-methylbutanoate (CID 159920193) is methylsilylmethyl 2-methylbutanoate.
What is the SMILES notation for methylsilylmethyl 2-methylbutanoate?
The canonical SMILES for methylsilylmethyl 2-methylbutanoate is CCC(C)C(=O)OC[SiH2]C.
What is the InChIKey of methylsilylmethyl 2-methylbutanoate?
The InChIKey is BJRMOCWCEJVPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-4-6(2)7(8)9-5-10-3/h6H,4-5,10H2,1-3H3.
What are the key properties of methylsilylmethyl 2-methylbutanoate?
methylsilylmethyl 2-methylbutanoate has a molecular weight of 160.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsilylmethyl 2-methylbutanoate is sourced from PubChem (CID 159920193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).