tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane

C38H46O4Si — CID 134841074

IUPACtert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane
SMILESC[C@H](C[C@@H](C[C@@H]1CCOC(c2ccccc2)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C38H46O4Si/c1-30(40-29-31-17-9-5-10-18-31)27-34(28-33-25-26-39-37(41-33)32-19-11-6-12-20-32)42-43(38(2,3)4,35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-24,30,33-34,37H,25-29H2,1-4H3/t30-,33+,34+,37?/m1/s1
InChIKeyDTGAAVFECBZJAX-AQRYENFDSA-N
MW594.87 g/mol
LogP7.82
Rot. Bonds12

About tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane

tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane (PubChem CID 134841074) has the molecular formula C38H46O4Si and a molecular weight of 594.87 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane
PubChem CID134841074
Molecular FormulaC38H46O4Si
Molecular Weight594.87 g/mol
Exact Mass594.32
IUPAC Nametert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane
SMILESC[C@H](C[C@@H](C[C@@H]1CCOC(c2ccccc2)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C38H46O4Si/c1-30(40-29-31-17-9-5-10-18-31)27-34(28-33-25-26-39-37(41-33)32-19-11-6-12-20-32)42-43(38(2,3)4,35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-24,30,33-34,37H,25-29H2,1-4H3/t30-,33+,34+,37?/m1/s1
InChIKeyDTGAAVFECBZJAX-AQRYENFDSA-N
XLogP7.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.87
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,5R,7R)-5-[tert-butyl(diphenyl)silyl]oxy-7-phenylmethoxyoctane-1,3-diol
CID 134841075
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2R,3S,4S,5R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4,5-tris(phenylmethoxy)hexanedial
CID 102478524
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
N-methyl-1-(2-phenyl-1,3-dioxan-4-yl)methanamine
CID 58287035
tert-butyl-[(2S)-1-[(2S,6R)-6-[(2S,4S)-2,4-dimethylhept-6-enyl]oxan-2-yl]-4-phenylmethoxybutan-2-yl]oxy-diphenylsilane;(3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-methylbutanal;ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
CID 90961113
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
CID 101441536
2-(3-phenylmethoxybutyl)oxirane
CID 87093258
methyl 2-[(2R,6S)-6-[(2S,4R,6R,7R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[tert-butyl(diphenyl)silyl]oxy-6-hydroxy-7-methyl-8-oxooctyl]oxan-2-yl]acetate
CID 122377861
O-[2-(2-phenyl-1,3-dioxan-4-yl)ethyl]hydroxylamine;hydrochloride
CID 53421243
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane?
The IUPAC name of tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane (CID 134841074) is tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane is C[C@H](C[C@@H](C[C@@H]1CCOC(c2ccccc2)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane?
The InChIKey is DTGAAVFECBZJAX-AQRYENFDSA-N. The full InChI is InChI=1S/C38H46O4Si/c1-30(40-29-31-17-9-5-10-18-31)27-34(28-33-25-26-39-37(41-33)32-19-11-6-12-20-32)42-43(38(2,3)4,35-21-13-7-14-22-35)36-23-15-8-16-24-36/h5-24,30,33-34,37H,25-29H2,1-4H3/t30-,33+,34+,37?/m1/s1.
What are the key properties of tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane?
tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane has a molecular weight of 594.87 g/mol, XLogP of 7.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2S,4R)-1-[(4S)-2-phenyl-1,3-dioxan-4-yl]-4-phenylmethoxypentan-2-yl]oxysilane is sourced from PubChem (CID 134841074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).