tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane

C37H54O2Si — CID 10030673

IUPACtert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
SMILESCCCCCCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C37H54O2Si/c1-5-6-7-8-9-10-11-12-18-25-34(38-32-33-23-16-13-17-24-33)30-31-39-40(37(2,3)4,35-26-19-14-20-27-35)36-28-21-15-22-29-36/h13-17,19-24,26-29,34H,5-12,18,25,30-32H2,1-4H3/t34-/m1/s1
InChIKeyYWOULCWXKGXKMH-UUWRZZSWSA-N
MW558.92 g/mol
LogP9.46
Rot. Bonds19

About tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane

tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane (PubChem CID 10030673) has the molecular formula C37H54O2Si and a molecular weight of 558.92 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
PubChem CID10030673
Molecular FormulaC37H54O2Si
Molecular Weight558.92 g/mol
Exact Mass558.39
IUPAC Nametert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane
SMILESCCCCCCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C37H54O2Si/c1-5-6-7-8-9-10-11-12-18-25-34(38-32-33-23-16-13-17-24-33)30-31-39-40(37(2,3)4,35-26-19-14-20-27-35)36-28-21-15-22-29-36/h13-17,19-24,26-29,34H,5-12,18,25,30-32H2,1-4H3/t34-/m1/s1
InChIKeyYWOULCWXKGXKMH-UUWRZZSWSA-N
XLogP9.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.92
LogP ≤ 59.46
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-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
4-phenylmethoxynonadecan-1-ol
CID 15735676
tert-butyl-[(2S)-14-[tert-butyl(dimethyl)silyl]oxy-2-[(4-methoxyphenyl)methoxy]tetradecoxy]-diphenylsilane
CID 101416747
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
5-[tert-butyl(diphenyl)silyl]oxy-3-[(4-methoxyphenyl)methoxy]pentanal
CID 75162787
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane (CID 10030673) is tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane is CCCCCCCCCCC[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane?
The InChIKey is YWOULCWXKGXKMH-UUWRZZSWSA-N. The full InChI is InChI=1S/C37H54O2Si/c1-5-6-7-8-9-10-11-12-18-25-34(38-32-33-23-16-13-17-24-33)30-31-39-40(37(2,3)4,35-26-19-14-20-27-35)36-28-21-15-22-29-36/h13-17,19-24,26-29,34H,5-12,18,25,30-32H2,1-4H3/t34-/m1/s1.
What are the key properties of tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane?
tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane has a molecular weight of 558.92 g/mol, XLogP of 9.46, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3R)-3-phenylmethoxytetradecoxy]silane is sourced from PubChem (CID 10030673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).