tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane

C26H35ClOSi — CID 72997103

IUPACtert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
SMILESCC(=CCCC(C)=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCl
InChIInChI=1S/C26H35ClOSi/c1-22(13-12-14-23(2)21-27)19-20-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,14-19H,12-13,20-21H2,1-5H3
InChIKeyUBCFCSZPALFNNG-UHFFFAOYSA-N
MW427.10 g/mol
LogP6.47
Rot. Bonds9

About tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane

tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane (PubChem CID 72997103) has the molecular formula C26H35ClOSi and a molecular weight of 427.10 g/mol. Its IUPAC name is tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
PubChem CID72997103
Molecular FormulaC26H35ClOSi
Molecular Weight427.10 g/mol
Exact Mass426.21
IUPAC Nametert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
SMILESCC(=CCCC(C)=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCl
InChIInChI=1S/C26H35ClOSi/c1-22(13-12-14-23(2)21-27)19-20-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,14-19H,12-13,20-21H2,1-5H3
InChIKeyUBCFCSZPALFNNG-UHFFFAOYSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.10
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
CID 10624878
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220
tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
CID 140737174
[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dienyl] methanesulfonate
CID 10553464
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
(E)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-6-methyl-2-methylideneoct-6-enenitrile
CID 10993491
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
[(2E,6E,8R)-10-[tert-butyl(diphenyl)silyl]oxy-3,7,8-trimethyldeca-2,6-dienyl] acetate
CID 10767465
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane?
The IUPAC name of tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane (CID 72997103) is tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane.
What is the SMILES notation for tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane?
The canonical SMILES for tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane is CC(=CCCC(C)=CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CCl.
What is the InChIKey of tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane?
The InChIKey is UBCFCSZPALFNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClOSi/c1-22(13-12-14-23(2)21-27)19-20-28-29(26(3,4)5,24-15-8-6-9-16-24)25-17-10-7-11-18-25/h6-11,14-19H,12-13,20-21H2,1-5H3.
What are the key properties of tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane?
tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane has a molecular weight of 427.10 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(8-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane is sourced from PubChem (CID 72997103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).