tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane

C29H36O2Si — CID 134833176

IUPACtert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
SMILESC=C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h5-14,16-17,19-22,26H,1,15,18,23-24H2,2-4H3/t26-/m0/s1
InChIKeyHKAURIFAVJNPFI-SANMLTNESA-N
MW444.69 g/mol
LogP6.11
Rot. Bonds11

About tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane

tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane (PubChem CID 134833176) has the molecular formula C29H36O2Si and a molecular weight of 444.69 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
PubChem CID134833176
Molecular FormulaC29H36O2Si
Molecular Weight444.69 g/mol
Exact Mass444.25
IUPAC Nametert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
SMILESC=C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H36O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h5-14,16-17,19-22,26H,1,15,18,23-24H2,2-4H3/t26-/m0/s1
InChIKeyHKAURIFAVJNPFI-SANMLTNESA-N
XLogP6.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.11
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'}

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Related Compounds

tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
CID 57341570
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
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
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
CID 10602555
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
(2S)-3,3-dimethyl-2-(3-phenylmethoxypropyl)pent-4-enoic acid
CID 101237570
tert-butyl-[(3R,4R,5E)-3,5-dimethyl-7-phenylhepta-1,5-dien-4-yl]oxy-diphenylsilane
CID 15321592

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane (CID 134833176) is tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane is C=C[C@@H](CCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane?
The InChIKey is HKAURIFAVJNPFI-SANMLTNESA-N. The full InChI is InChI=1S/C29H36O2Si/c1-5-26(18-15-23-30-24-25-16-9-6-10-17-25)31-32(29(2,3)4,27-19-11-7-12-20-27)28-21-13-8-14-22-28/h5-14,16-17,19-22,26H,1,15,18,23-24H2,2-4H3/t26-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane?
tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane has a molecular weight of 444.69 g/mol, XLogP of 6.11, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3R)-6-phenylmethoxyhex-1-en-3-yl]oxysilane is sourced from PubChem (CID 134833176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).