tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane

C33H56O2Si2 — CID 156806459

IUPACtert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
SMILESCCCCCCCCC(CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H56O2Si2/c1-10-11-12-13-14-17-22-29(27-28-34-36(8,9)32(2,3)4)35-37(33(5,6)7,30-23-18-15-19-24-30)31-25-20-16-21-26-31/h15-16,18-21,23-26,29H,10-14,17,22,27-28H2,1-9H3
InChIKeyJNXKJQKZBRGKOQ-UHFFFAOYSA-N
MW540.98 g/mol
LogP9.09
Rot. Bonds15

About tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane

tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane (PubChem CID 156806459) has the molecular formula C33H56O2Si2 and a molecular weight of 540.98 g/mol. Its IUPAC name is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
PubChem CID156806459
Molecular FormulaC33H56O2Si2
Molecular Weight540.98 g/mol
Exact Mass540.38
IUPAC Nametert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
SMILESCCCCCCCCC(CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H56O2Si2/c1-10-11-12-13-14-17-22-29(27-28-34-36(8,9)32(2,3)4)35-37(33(5,6)7,30-23-18-15-19-24-30)31-25-20-16-21-26-31/h15-16,18-21,23-26,29H,10-14,17,22,27-28H2,1-9H3
InChIKeyJNXKJQKZBRGKOQ-UHFFFAOYSA-N
XLogP9.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.98
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
CID 10030673
10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-5-en-3-yl]oxy-diphenylsilane
CID 91526312
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
tert-butyl-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypent-1-yn-3-yl]oxy-diphenylsilane
CID 155932039
4-[tert-butyl(dimethyl)silyl]oxy-6-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 11420340
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(6S,7E,9E,12E)-17-[tert-butyl(dimethyl)silyl]oxyheptadeca-7,9,12-trien-6-yl]oxy-diphenylsilane
CID 102494449
tert-butyl-[(1S)-1-(furan-2-yl)tridecoxy]-diphenylsilane
CID 71816566

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane?
The IUPAC name of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane (CID 156806459) is tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane is CCCCCCCCC(CCO[Si](C)(C)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane?
The InChIKey is JNXKJQKZBRGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56O2Si2/c1-10-11-12-13-14-17-22-29(27-28-34-36(8,9)32(2,3)4)35-37(33(5,6)7,30-23-18-15-19-24-30)31-25-20-16-21-26-31/h15-16,18-21,23-26,29H,10-14,17,22,27-28H2,1-9H3.
What are the key properties of tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane?
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane has a molecular weight of 540.98 g/mol, XLogP of 9.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane is sourced from PubChem (CID 156806459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).