(4-tert-butylcyclohexyl)oxy-triphenylsilane

C28H34OSi — CID 101071066

IUPAC(4-tert-butylcyclohexyl)oxy-triphenylsilane
SMILESCC(C)(C)C1CCC(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34OSi/c1-28(2,3)23-19-21-24(22-20-23)29-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24H,19-22H2,1-3H3
InChIKeyZFOALQWBPZTCDL-UHFFFAOYSA-N
MW414.67 g/mol
LogP5.28
Rot. Bonds5

About (4-tert-butylcyclohexyl)oxy-triphenylsilane

(4-tert-butylcyclohexyl)oxy-triphenylsilane (PubChem CID 101071066) has the molecular formula C28H34OSi and a molecular weight of 414.67 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)oxy-triphenylsilane.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)oxy-triphenylsilane
PubChem CID101071066
Molecular FormulaC28H34OSi
Molecular Weight414.67 g/mol
Exact Mass414.24
IUPAC Name(4-tert-butylcyclohexyl)oxy-triphenylsilane
SMILESCC(C)(C)C1CCC(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34OSi/c1-28(2,3)23-19-21-24(22-20-23)29-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24H,19-22H2,1-3H3
InChIKeyZFOALQWBPZTCDL-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)oxy-triphenylsilane?
The IUPAC name of (4-tert-butylcyclohexyl)oxy-triphenylsilane (CID 101071066) is (4-tert-butylcyclohexyl)oxy-triphenylsilane.
What is the SMILES notation for (4-tert-butylcyclohexyl)oxy-triphenylsilane?
The canonical SMILES for (4-tert-butylcyclohexyl)oxy-triphenylsilane is CC(C)(C)C1CCC(O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)oxy-triphenylsilane?
The InChIKey is ZFOALQWBPZTCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OSi/c1-28(2,3)23-19-21-24(22-20-23)29-30(25-13-7-4-8-14-25,26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-18,23-24H,19-22H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)oxy-triphenylsilane?
(4-tert-butylcyclohexyl)oxy-triphenylsilane has a molecular weight of 414.67 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)oxy-triphenylsilane is sourced from PubChem (CID 101071066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).