(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate

C13H28O2Si — CID 59893089

IUPAC(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-9-12(2,3)11(14)15-10-13(4,5)16(6,7)8/h9-10H2,1-8H3
InChIKeyKRVFQQNBTWIMBB-UHFFFAOYSA-N
MW244.45 g/mol
LogP4.08
Rot. Bonds5

About (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate

(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate (PubChem CID 59893089) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
PubChem CID59893089
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-9-12(2,3)11(14)15-10-13(4,5)16(6,7)8/h9-10H2,1-8H3
InChIKeyKRVFQQNBTWIMBB-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 54.08
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

(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
2,2,3,3,3-pentafluoropropyl 2,2-dimethylbutanoate
CID 59693462
iodomethyl 2,2-dimethylbutanoate
CID 14459667
ethyl 2,2-dimethylbutanoate
CID 20744002
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
CID 20708550
[ethoxy(dimethyl)silyl]methyl 2,2-dimethylbutanoate
CID 140870325
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
fluoroethane;fluoromethyl 2,2-dimethylbutanoate
CID 91194207
2,2,2-trifluoroethyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
CID 123435278
3-methylpentan-3-yl 2,2-dimethylbutanoate
CID 22895611

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate?
The IUPAC name of (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate (CID 59893089) is (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate?
The canonical SMILES for (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(C)(C)[Si](C)(C)C.
What is the InChIKey of (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate?
The InChIKey is KRVFQQNBTWIMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-9-12(2,3)11(14)15-10-13(4,5)16(6,7)8/h9-10H2,1-8H3.
What are the key properties of (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate?
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate has a molecular weight of 244.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 59893089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).