(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate

C15H32O2Si — CID 22889670

IUPAC(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-9-14(2,3)13(16)17-12-10-11-15(4,5)18(6,7)8/h9-12H2,1-8H3
InChIKeyOUALNRGPXVJYPU-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.86
Rot. Bonds7

About (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate

(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate (PubChem CID 22889670) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
PubChem CID22889670
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCCC(C)(C)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-9-14(2,3)13(16)17-12-10-11-15(4,5)18(6,7)8/h9-12H2,1-8H3
InChIKeyOUALNRGPXVJYPU-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
(2-methyl-2-trimethylsilylpropyl) 2,2-dimethylbutanoate
CID 59893089
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875
4-oxopentyl 2,2-dimethylbutanoate
CID 167427927
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
4-(dimethylamino)butyl 2,2-dimethylbutanoate
CID 58545338

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate?
The IUPAC name of (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate (CID 22889670) is (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate?
The canonical SMILES for (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCCC(C)(C)[Si](C)(C)C.
What is the InChIKey of (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate?
The InChIKey is OUALNRGPXVJYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-9-14(2,3)13(16)17-12-10-11-15(4,5)18(6,7)8/h9-12H2,1-8H3.
What are the key properties of (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate?
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate has a molecular weight of 272.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 22889670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).