tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane

C16H34OSi — CID 22447738

IUPACtert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
SMILESCC(C)C1CCC(C)(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H34OSi/c1-13(2)14-9-11-16(6,12-10-14)17-18(7,8)15(3,4)5/h13-14H,9-12H2,1-8H3
InChIKeyLKYSWOVJRKZTJS-UHFFFAOYSA-N
MW270.53 g/mol
LogP5.61
Rot. Bonds3

About tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane

tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane (PubChem CID 22447738) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
PubChem CID22447738
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
SMILESCC(C)C1CCC(C)(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C16H34OSi/c1-13(2)14-9-11-16(6,12-10-14)17-18(7,8)15(3,4)5/h13-14H,9-12H2,1-8H3
InChIKeyLKYSWOVJRKZTJS-UHFFFAOYSA-N
XLogP5.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane (CID 22447738) is tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane is CC(C)C1CCC(C)(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane?
The InChIKey is LKYSWOVJRKZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OSi/c1-13(2)14-9-11-16(6,12-10-14)17-18(7,8)15(3,4)5/h13-14H,9-12H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane?
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane has a molecular weight of 270.53 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane is sourced from PubChem (CID 22447738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).