trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane

C18H42OSi2 — CID 89296990

IUPACtrimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane
SMILESCCCCCC(C)(CCC(C)(C)[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42OSi2/c1-11-12-13-14-18(4,19-21(8,9)10)16-15-17(2,3)20(5,6)7/h11-16H2,1-10H3
InChIKeyYUPJHRSMMBWMCO-UHFFFAOYSA-N
MW330.71 g/mol
LogP7.08
Rot. Bonds10

About trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane

trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane (PubChem CID 89296990) has the molecular formula C18H42OSi2 and a molecular weight of 330.71 g/mol. Its IUPAC name is trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane
PubChem CID89296990
Molecular FormulaC18H42OSi2
Molecular Weight330.71 g/mol
Exact Mass330.28
IUPAC Nametrimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane
SMILESCCCCCC(C)(CCC(C)(C)[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H42OSi2/c1-11-12-13-14-18(4,19-21(8,9)10)16-15-17(2,3)20(5,6)7/h11-16H2,1-10H3
InChIKeyYUPJHRSMMBWMCO-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.71
LogP ≤ 57.08
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane?
The IUPAC name of trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane (CID 89296990) is trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane.
What is the SMILES notation for trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane?
The canonical SMILES for trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane is CCCCCC(C)(CCC(C)(C)[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane?
The InChIKey is YUPJHRSMMBWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42OSi2/c1-11-12-13-14-18(4,19-21(8,9)10)16-15-17(2,3)20(5,6)7/h11-16H2,1-10H3.
What are the key properties of trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane?
trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane has a molecular weight of 330.71 g/mol, XLogP of 7.08, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-methyl-3-trimethylsilylbutyl)heptan-2-yloxy]silane is sourced from PubChem (CID 89296990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).