tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane

C30H38O2Si — CID 57341570

IUPACtert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
SMILESC=C[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O2Si/c1-5-27(19-15-16-24-31-25-26-17-9-6-10-18-26)32-33(30(2,3)4,28-20-11-7-12-21-28)29-22-13-8-14-23-29/h5-14,17-18,20-23,27H,1,15-16,19,24-25H2,2-4H3/t27-/m0/s1
InChIKeyOWRMGJSHMPBWSG-MHZLTWQESA-N
MW458.72 g/mol
LogP6.50
Rot. Bonds12

About tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane

tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane (PubChem CID 57341570) has the molecular formula C30H38O2Si and a molecular weight of 458.72 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
PubChem CID57341570
Molecular FormulaC30H38O2Si
Molecular Weight458.72 g/mol
Exact Mass458.26
IUPAC Nametert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane
SMILESC=C[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H38O2Si/c1-5-27(19-15-16-24-31-25-26-17-9-6-10-18-26)32-33(30(2,3)4,28-20-11-7-12-21-28)29-22-13-8-14-23-29/h5-14,17-18,20-23,27H,1,15-16,19,24-25H2,2-4H3/t27-/m0/s1
InChIKeyOWRMGJSHMPBWSG-MHZLTWQESA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.72
LogP ≤ 56.50
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)-6-phenylmethoxyhex-1-en-3-yl]oxysilane
CID 134833176
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
(3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-phenylmethoxyoctanal
CID 11168008
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
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
1,17-bis(phenylmethoxy)heptadecan-9-yloxy-tert-butyl-dimethylsilane
CID 66710987
1-[tert-butyl(diphenyl)silyl]oxy-5-phenylmethoxypentan-2-ol
CID 11762130
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
CID 10602555
tert-butyl-[1-[tert-butyl(diphenyl)silyl]oxy-3-hexadec-1-en-3-yloxypropan-2-yl]oxy-diphenylsilane
CID 11735422
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane (CID 57341570) is tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane is C=C[C@@H](CCCCOCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane?
The InChIKey is OWRMGJSHMPBWSG-MHZLTWQESA-N. The full InChI is InChI=1S/C30H38O2Si/c1-5-27(19-15-16-24-31-25-26-17-9-6-10-18-26)32-33(30(2,3)4,28-20-11-7-12-21-28)29-22-13-8-14-23-29/h5-14,17-18,20-23,27H,1,15-16,19,24-25H2,2-4H3/t27-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane?
tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane has a molecular weight of 458.72 g/mol, XLogP of 6.50, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(3R)-7-phenylmethoxyhept-1-en-3-yl]oxysilane is sourced from PubChem (CID 57341570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).