tert-butyl-(cyclohexen-1-yl)-diphenylsilane

C22H28Si — CID 11301658

IUPACtert-butyl-(cyclohexen-1-yl)-diphenylsilane
SMILESCC(C)(C)[Si](C1=CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28Si/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3
InChIKeyBUBSZWOLHZBTIU-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.09
Rot. Bonds3

About tert-butyl-(cyclohexen-1-yl)-diphenylsilane

tert-butyl-(cyclohexen-1-yl)-diphenylsilane (PubChem CID 11301658) has the molecular formula C22H28Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-(cyclohexen-1-yl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(cyclohexen-1-yl)-diphenylsilane
PubChem CID11301658
Molecular FormulaC22H28Si
Molecular Weight320.55 g/mol
Exact Mass320.20
IUPAC Nametert-butyl-(cyclohexen-1-yl)-diphenylsilane
SMILESCC(C)(C)[Si](C1=CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28Si/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3
InChIKeyBUBSZWOLHZBTIU-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(cyclohexen-1-yl)-hydroxy-phenylsilane
CID 10989040
tert-butyl-(4-methylphenyl)-diphenylsilane
CID 140525033
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohex-2-en-1-one
CID 86086582
[(Z)-2-(cyclohexen-1-yl)ethenyl]-methyl-diphenylsilane
CID 101364519
1-(cyclohexen-1-yl)-1-phenylethanol
CID 538858
1,1-bis(triphenylsilyl)ethanamine
CID 174310291
cyclobuten-1-yl(triphenyl)silane
CID 71421522
[(1E)-cycloocten-1-yl]-trimethoxysilane
CID 22623529
[5-(cyclohexen-1-yl)-1,1-dimethyl-2,3-dihydrosilol-4-yl]-dimethyl-phenylsilane
CID 177477315
tert-butyl-(2-methoxyphenyl)-diphenylsilane
CID 134946104
2-[tert-butyl(diphenyl)silyl]benzoic acid
CID 174945369
tert-butyl-diphenyl-quinolin-2-ylsilane
CID 175037436

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(cyclohexen-1-yl)-diphenylsilane?
The IUPAC name of tert-butyl-(cyclohexen-1-yl)-diphenylsilane (CID 11301658) is tert-butyl-(cyclohexen-1-yl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(cyclohexen-1-yl)-diphenylsilane?
The canonical SMILES for tert-butyl-(cyclohexen-1-yl)-diphenylsilane is CC(C)(C)[Si](C1=CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-(cyclohexen-1-yl)-diphenylsilane?
The InChIKey is BUBSZWOLHZBTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28Si/c1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-5,7-10,13-17H,6,11-12,18H2,1-3H3.
What are the key properties of tert-butyl-(cyclohexen-1-yl)-diphenylsilane?
tert-butyl-(cyclohexen-1-yl)-diphenylsilane has a molecular weight of 320.55 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(cyclohexen-1-yl)-diphenylsilane is sourced from PubChem (CID 11301658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).