tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane

C33H52OSi — CID 11123858

IUPACtert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
SMILESCCCCCCCCCCCC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-34-35(33(2,3)4,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h16-17,19-24,26-29H,5-15,18,25,30H2,1-4H3/b17-16+
InChIKeyNJSACBBRCQYGOE-WUKNDPDISA-N
MW492.86 g/mol
LogP9.21
Rot. Bonds18

About tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane

tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane (PubChem CID 11123858) has the molecular formula C33H52OSi and a molecular weight of 492.86 g/mol. Its IUPAC name is tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
PubChem CID11123858
Molecular FormulaC33H52OSi
Molecular Weight492.86 g/mol
Exact Mass492.38
IUPAC Nametert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
SMILESCCCCCCCCCCCC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-34-35(33(2,3)4,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h16-17,19-24,26-29H,5-15,18,25,30H2,1-4H3/b17-16+
InChIKeyNJSACBBRCQYGOE-WUKNDPDISA-N
XLogP9.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.86
LogP ≤ 59.21
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

tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-diphenyl-tetradec-8-ynoxysilane
CID 90132306
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
CID 23168652
tert-butyl-[(Z)-heptacos-19-en-10-yl]oxy-diphenylsilane
CID 140673619
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
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
tert-butyl-[3-(5-heptylfuran-2-yl)propoxy]-diphenylsilane
CID 140893830

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane (CID 11123858) is tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane is CCCCCCCCCCCC/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane?
The InChIKey is NJSACBBRCQYGOE-WUKNDPDISA-N. The full InChI is InChI=1S/C33H52OSi/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-30-34-35(33(2,3)4,31-26-21-19-22-27-31)32-28-23-20-24-29-32/h16-17,19-24,26-29H,5-15,18,25,30H2,1-4H3/b17-16+.
What are the key properties of tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane?
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane has a molecular weight of 492.86 g/mol, XLogP of 9.21, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane is sourced from PubChem (CID 11123858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).