trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane

C17H38OSi — CID 123671004

IUPACtrimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane
SMILESCC(C)C(C)(COCCC[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C17H38OSi/c1-15(2)17(6,13-16(3,4)5)14-18-11-10-12-19(7,8)9/h15H,10-14H2,1-9H3
InChIKeyJTSQWSFPJSKAFT-UHFFFAOYSA-N
MW286.58 g/mol
LogP5.83
Rot. Bonds8

About trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane

trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane (PubChem CID 123671004) has the molecular formula C17H38OSi and a molecular weight of 286.58 g/mol. Its IUPAC name is trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane
PubChem CID123671004
Molecular FormulaC17H38OSi
Molecular Weight286.58 g/mol
Exact Mass286.27
IUPAC Nametrimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane
SMILESCC(C)C(C)(COCCC[Si](C)(C)C)CC(C)(C)C
InChIInChI=1S/C17H38OSi/c1-15(2)17(6,13-16(3,4)5)14-18-11-10-12-19(7,8)9/h15H,10-14H2,1-9H3
InChIKeyJTSQWSFPJSKAFT-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.58
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-(3-trimethylsilylpropoxy)-2,2-bis(3-trimethylsilylpropoxymethyl)propan-1-ol
CID 158533030
2,3,3-trimethyl-2-propan-2-yl-1-(2-trimethylsilylethoxy)butan-1-ol
CID 123328832
2-(15-trimethylsilylpentadecoxy)ethanol
CID 170689159
3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
CID 89023482
3-but-3-en-2-yloxypropyl(trimethyl)silane
CID 175392433
[dimethyl(3-trimethylsilylpropoxymethyl)silyl]methanol
CID 123729856
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
N,2,3-trimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323915
3,5,5-trimethyl-1-[3-[3-[3-(3,5,5-trimethylhexoxy)propoxy]propoxy]propoxy]hexane
CID 58682902
2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol
CID 91074560
1-[3-(2,2-dimethylpropoxy)propoxy]-4,4-dimethylpentane
CID 131972641

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane?
The IUPAC name of trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane (CID 123671004) is trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane.
What is the SMILES notation for trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane?
The canonical SMILES for trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane is CC(C)C(C)(COCCC[Si](C)(C)C)CC(C)(C)C.
What is the InChIKey of trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane?
The InChIKey is JTSQWSFPJSKAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38OSi/c1-15(2)17(6,13-16(3,4)5)14-18-11-10-12-19(7,8)9/h15H,10-14H2,1-9H3.
What are the key properties of trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane?
trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane has a molecular weight of 286.58 g/mol, XLogP of 5.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2,4,4-trimethyl-2-propan-2-ylpentoxy)propyl]silane is sourced from PubChem (CID 123671004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).