tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane

C34H44O2Si2 — CID 10602555

IUPACtert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
SMILESCC(C)(C)[Si](OC(/C=C\CCOCc1ccccc1)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H44O2Si2/c1-34(2,3)38(32-23-12-8-13-24-32,33-25-14-9-15-26-33)36-31(22-18-28-37(4,5)6)21-16-17-27-35-29-30-19-10-7-11-20-30/h7-16,19-21,23-26,31H,17,22,27,29H2,1-6H3/b21-16-
InChIKeyIFCMHEKBPVKIJU-PGMHBOJBSA-N
MW540.90 g/mol
LogP7.37
Rot. Bonds11

About tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane

tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane (PubChem CID 10602555) has the molecular formula C34H44O2Si2 and a molecular weight of 540.90 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
PubChem CID10602555
Molecular FormulaC34H44O2Si2
Molecular Weight540.90 g/mol
Exact Mass540.29
IUPAC Nametert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
SMILESCC(C)(C)[Si](OC(/C=C\CCOCc1ccccc1)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H44O2Si2/c1-34(2,3)38(32-23-12-8-13-24-32,33-25-14-9-15-26-33)36-31(22-18-28-37(4,5)6)21-16-17-27-35-29-30-19-10-7-11-20-30/h7-16,19-21,23-26,31H,17,22,27,29H2,1-6H3/b21-16-
InChIKeyIFCMHEKBPVKIJU-PGMHBOJBSA-N
XLogP7.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.90
LogP ≤ 57.37
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
CID 139649655
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
[(5S,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-13-phenylmethoxytridec-6-ynoxy]-tert-butyl-diphenylsilane
CID 164671859
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-yn-3-yl]oxysilane
CID 134872566
magnesium;tert-butyl-diphenyl-[(4R)-1-phenylmethoxytetradecan-4-yl]oxysilane;bromide
CID 11125202
(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde
CID 158235016
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
(E)-6-[tert-butyl(diphenyl)silyl]oxy-2-trimethylsilyloxyhex-3-enenitrile
CID 101163169
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
[(Z)-1-bromo-5-phenylpent-1-en-3-yl]oxy-tert-butyl-diphenylsilane
CID 15364161

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane (CID 10602555) is tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane is CC(C)(C)[Si](OC(/C=C\CCOCc1ccccc1)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane?
The InChIKey is IFCMHEKBPVKIJU-PGMHBOJBSA-N. The full InChI is InChI=1S/C34H44O2Si2/c1-34(2,3)38(32-23-12-8-13-24-32,33-25-14-9-15-26-33)36-31(22-18-28-37(4,5)6)21-16-17-27-35-29-30-19-10-7-11-20-30/h7-16,19-21,23-26,31H,17,22,27,29H2,1-6H3/b21-16-.
What are the key properties of tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane?
tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane has a molecular weight of 540.90 g/mol, XLogP of 7.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane is sourced from PubChem (CID 10602555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).