tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane

C34H38O4Si — CID 142503970

IUPACtert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@H]1OC(c2ccccc2)OC[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38O4Si/c1-34(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)37-26-32-31(35-24-27-16-8-4-9-17-27)25-36-33(38-32)28-18-10-5-11-19-28/h4-23,31-33H,24-26H2,1-3H3/t31-,32-,33?/m1/s1
InChIKeyRCTDICUHQUTBKC-NWBPNMJXSA-N
MW538.76 g/mol
LogP6.26
Rot. Bonds9

About tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane

tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane (PubChem CID 142503970) has the molecular formula C34H38O4Si and a molecular weight of 538.76 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
PubChem CID142503970
Molecular FormulaC34H38O4Si
Molecular Weight538.76 g/mol
Exact Mass538.25
IUPAC Nametert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
SMILESCC(C)(C)[Si](OC[C@H]1OC(c2ccccc2)OC[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H38O4Si/c1-34(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)37-26-32-31(35-24-27-16-8-4-9-17-27)25-36-33(38-32)28-18-10-5-11-19-28/h4-23,31-33H,24-26H2,1-3H3/t31-,32-,33?/m1/s1
InChIKeyRCTDICUHQUTBKC-NWBPNMJXSA-N
XLogP6.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.76
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodo-4,5-bis(phenylmethoxy)oxan-2-yl] acetate
CID 101363384
tert-butyl-diphenyl-[[(2R,3R,4R,5S,6S)-3,4,5-tris(phenylmethoxy)-6-(2-trimethylsilylethynyl)oxan-2-yl]methoxy]silane
CID 11592982
(2S,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-ol
CID 171124593
(6S,8S,8aR)-6-methyl-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine;[(2S,4S,5R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 90710477
(3R,3aS,4R,6aR)-4-[tert-butyl(diphenyl)silyl]oxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-3-ol;[(3R,3aS,4R,6aR)-3-phenylmethoxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxy-tert-butyl-diphenylsilane
CID 160925208
(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
tert-butyl-[[(2R,3R,4S,5R,6S)-3-[(R)-deuterio(phenyl)methoxy]-6-methoxy-4,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane
CID 56641791
(2R,4aR,6S,7R,9Z,10aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-9-methyl-2-phenyl-4,4a,6,7,8,10a-hexahydro-[1,3]dioxino[5,4-b]oxocin-7-ol
CID 11592011
(2R,3R,6R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-phenylmethoxy-3,6-dihydro-2H-pyran-3-ol
CID 177419468

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane (CID 142503970) is tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane is CC(C)(C)[Si](OC[C@H]1OC(c2ccccc2)OC[C@H]1OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane?
The InChIKey is RCTDICUHQUTBKC-NWBPNMJXSA-N. The full InChI is InChI=1S/C34H38O4Si/c1-34(2,3)39(29-20-12-6-13-21-29,30-22-14-7-15-23-30)37-26-32-31(35-24-27-16-8-4-9-17-27)25-36-33(38-32)28-18-10-5-11-19-28/h4-23,31-33H,24-26H2,1-3H3/t31-,32-,33?/m1/s1.
What are the key properties of tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane?
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane has a molecular weight of 538.76 g/mol, XLogP of 6.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane is sourced from PubChem (CID 142503970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).