tert-butyl-diphenyl-tetradecan-2-yloxysilane

C30H48OSi — CID 71344239

IUPACtert-butyl-diphenyl-tetradecan-2-yloxysilane
SMILESCCCCCCCCCCCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48OSi/c1-6-7-8-9-10-11-12-13-14-17-22-27(2)31-32(30(3,4)5,28-23-18-15-19-24-28)29-25-20-16-21-26-29/h15-16,18-21,23-27H,6-14,17,22H2,1-5H3
InChIKeyCZYUSQWADAELQM-UHFFFAOYSA-N
MW452.80 g/mol
LogP8.26
Rot. Bonds15

About tert-butyl-diphenyl-tetradecan-2-yloxysilane

tert-butyl-diphenyl-tetradecan-2-yloxysilane (PubChem CID 71344239) has the molecular formula C30H48OSi and a molecular weight of 452.80 g/mol. Its IUPAC name is tert-butyl-diphenyl-tetradecan-2-yloxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-tetradecan-2-yloxysilane
PubChem CID71344239
Molecular FormulaC30H48OSi
Molecular Weight452.80 g/mol
Exact Mass452.35
IUPAC Nametert-butyl-diphenyl-tetradecan-2-yloxysilane
SMILESCCCCCCCCCCCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H48OSi/c1-6-7-8-9-10-11-12-13-14-17-22-27(2)31-32(30(3,4)5,28-23-18-15-19-24-28)29-25-20-16-21-26-29/h15-16,18-21,23-27H,6-14,17,22H2,1-5H3
InChIKeyCZYUSQWADAELQM-UHFFFAOYSA-N
XLogP8.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.80
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
[(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexyl]-triphenylphosphanium bromide
CID 11802691
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-tetradecan-2-yloxysilane?
The IUPAC name of tert-butyl-diphenyl-tetradecan-2-yloxysilane (CID 71344239) is tert-butyl-diphenyl-tetradecan-2-yloxysilane.
What is the SMILES notation for tert-butyl-diphenyl-tetradecan-2-yloxysilane?
The canonical SMILES for tert-butyl-diphenyl-tetradecan-2-yloxysilane is CCCCCCCCCCCCC(C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-tetradecan-2-yloxysilane?
The InChIKey is CZYUSQWADAELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48OSi/c1-6-7-8-9-10-11-12-13-14-17-22-27(2)31-32(30(3,4)5,28-23-18-15-19-24-28)29-25-20-16-21-26-29/h15-16,18-21,23-27H,6-14,17,22H2,1-5H3.
What are the key properties of tert-butyl-diphenyl-tetradecan-2-yloxysilane?
tert-butyl-diphenyl-tetradecan-2-yloxysilane has a molecular weight of 452.80 g/mol, XLogP of 8.26, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-tetradecan-2-yloxysilane is sourced from PubChem (CID 71344239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).