tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane

C43H72OSi — CID 140673619

IUPACtert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
SMILESCCCCCCC/C=C\CCCCCCCCC(CCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H72OSi/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-29-35-40(34-28-24-22-13-11-9-7-2)44-45(43(3,4)5,41-36-30-26-31-37-41)42-38-32-27-33-39-42/h16-17,26-27,30-33,36-40H,6-15,18-25,28-29,34-35H2,1-5H3/b17-16-
InChIKeyGXKAZRZQBCUMOP-MSUUIHNZSA-N
MW633.13 g/mol
LogP13.11
Rot. Bonds27

About tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane

tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane (PubChem CID 140673619) has the molecular formula C43H72OSi and a molecular weight of 633.13 g/mol. Its IUPAC name is tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
PubChem CID140673619
Molecular FormulaC43H72OSi
Molecular Weight633.13 g/mol
Exact Mass632.54
IUPAC Nametert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
SMILESCCCCCCC/C=C\CCCCCCCCC(CCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H72OSi/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-29-35-40(34-28-24-22-13-11-9-7-2)44-45(43(3,4)5,41-36-30-26-31-37-41)42-38-32-27-33-39-42/h16-17,26-27,30-33,36-40H,6-15,18-25,28-29,34-35H2,1-5H3/b17-16-
InChIKeyGXKAZRZQBCUMOP-MSUUIHNZSA-N
XLogP13.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.13
LogP ≤ 513.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

10-[tert-butyl(diphenyl)silyl]oxynonadecanoic acid
CID 123768020
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxyundecan-3-yloxy]-diphenylsilane
CID 156806459
(Z)-18-[tert-butyl(diphenyl)silyl]oxyicos-14-en-1-ol
CID 153316540
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
[(5Z,24Z)-15-[tert-butyl(diphenyl)silyl]oxy-29-formylperoxynonacosa-5,24-dienyl] formate
CID 164754063
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
(Z)-19-[tert-butyl(diphenyl)silyl]oxyicos-5-en-1-ol
CID 153316559
[(2S)-2-[tert-butyl(diphenyl)silyl]oxytetradecyl] 2,2-dimethylpropanoate
CID 134839010
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-[1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-yl]oxy-diphenylsilane;tert-butyl-chloro-diphenylsilane;1-[6-[tert-butyl(diphenyl)silyl]oxyhexoxy]-3-[(Z)-octadec-9-enoxy]propan-2-ol
CID 159347963

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane (CID 140673619) is tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane is CCCCCCC/C=C\CCCCCCCCC(CCCCCCCCC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane?
The InChIKey is GXKAZRZQBCUMOP-MSUUIHNZSA-N. The full InChI is InChI=1S/C43H72OSi/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-29-35-40(34-28-24-22-13-11-9-7-2)44-45(43(3,4)5,41-36-30-26-31-37-41)42-38-32-27-33-39-42/h16-17,26-27,30-33,36-40H,6-15,18-25,28-29,34-35H2,1-5H3/b17-16-.
What are the key properties of tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane?
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane has a molecular weight of 633.13 g/mol, XLogP of 13.11, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane is sourced from PubChem (CID 140673619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).