8-bromooctoxy-tert-butyl-diphenylsilane

C24H35BrOSi — CID 22444390

IUPAC8-bromooctoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35BrOSi/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-19H,4-7,14-15,20-21H2,1-3H3
InChIKeyDKKLGOGRQGKVSV-UHFFFAOYSA-N
MW447.53 g/mol
LogP6.30
Rot. Bonds11

About 8-bromooctoxy-tert-butyl-diphenylsilane

8-bromooctoxy-tert-butyl-diphenylsilane (PubChem CID 22444390) has the molecular formula C24H35BrOSi and a molecular weight of 447.53 g/mol. Its IUPAC name is 8-bromooctoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name8-bromooctoxy-tert-butyl-diphenylsilane
PubChem CID22444390
Molecular FormulaC24H35BrOSi
Molecular Weight447.53 g/mol
Exact Mass446.16
IUPAC Name8-bromooctoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCCCCCBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H35BrOSi/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-19H,4-7,14-15,20-21H2,1-3H3
InChIKeyDKKLGOGRQGKVSV-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
2-[4-(3-bromopropyl)piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 53423592
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
9-azidononoxy-tert-butyl-diphenylsilane
CID 155804238

Frequently Asked Questions

What is the IUPAC name of 8-bromooctoxy-tert-butyl-diphenylsilane?
The IUPAC name of 8-bromooctoxy-tert-butyl-diphenylsilane (CID 22444390) is 8-bromooctoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 8-bromooctoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 8-bromooctoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCCCCCCCCBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-bromooctoxy-tert-butyl-diphenylsilane?
The InChIKey is DKKLGOGRQGKVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BrOSi/c1-24(2,3)27(22-16-10-8-11-17-22,23-18-12-9-13-19-23)26-21-15-7-5-4-6-14-20-25/h8-13,16-19H,4-7,14-15,20-21H2,1-3H3.
What are the key properties of 8-bromooctoxy-tert-butyl-diphenylsilane?
8-bromooctoxy-tert-butyl-diphenylsilane has a molecular weight of 447.53 g/mol, XLogP of 6.30, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromooctoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 22444390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).