tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane

C18H28OSi — CID 11392094

IUPACtert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC(c2ccccc2)C1
InChIInChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-9-12-16(14-17)15-10-7-6-8-11-15/h6-8,10-11,13,16H,9,12,14H2,1-5H3
InChIKeyORFQXVMPEDVDRC-UHFFFAOYSA-N
MW288.51 g/mol
LogP5.86
Rot. Bonds3

About tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane

tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane (PubChem CID 11392094) has the molecular formula C18H28OSi and a molecular weight of 288.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
PubChem CID11392094
Molecular FormulaC18H28OSi
Molecular Weight288.51 g/mol
Exact Mass288.19
IUPAC Nametert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC(c2ccccc2)C1
InChIInChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-9-12-16(14-17)15-10-7-6-8-11-15/h6-8,10-11,13,16H,9,12,14H2,1-5H3
InChIKeyORFQXVMPEDVDRC-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.51
LogP ≤ 55.86
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-(5-phenylcyclohexen-1-yl)oxysilane?
The IUPAC name of tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane (CID 11392094) is tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane?
The canonical SMILES for tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane is CC(C)(C)[Si](C)(C)OC1=CCCC(c2ccccc2)C1.
What is the InChIKey of tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane?
The InChIKey is ORFQXVMPEDVDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28OSi/c1-18(2,3)20(4,5)19-17-13-9-12-16(14-17)15-10-7-6-8-11-15/h6-8,10-11,13,16H,9,12,14H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane?
tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane has a molecular weight of 288.51 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane is sourced from PubChem (CID 11392094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).