tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane

C35H54O5Si — CID 10897190

IUPACtert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane
SMILESC[C@@H]1[C@@H]([C@H](C)[C@H]2OC(C)(C)OC[C@@H]2C)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H54O5Si/c1-24-22-36-34(8,9)38-30(24)26(3)32-27(4)31(39-35(10,11)40-32)25(2)23-37-41(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29/h12-21,24-27,30-32H,22-23H2,1-11H3/t24-,25+,26+,27-,30-,31+,32+/m0/s1
InChIKeyWOYVFCCPZWTWRU-XAPHVVPESA-N
MW582.90 g/mol
LogP6.78
Rot. Bonds8

About tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane

tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane (PubChem CID 10897190) has the molecular formula C35H54O5Si and a molecular weight of 582.90 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane
PubChem CID10897190
Molecular FormulaC35H54O5Si
Molecular Weight582.90 g/mol
Exact Mass582.37
IUPAC Nametert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane
SMILESC[C@@H]1[C@@H]([C@H](C)[C@H]2OC(C)(C)OC[C@@H]2C)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H54O5Si/c1-24-22-36-34(8,9)38-30(24)26(3)32-27(4)31(39-35(10,11)40-32)25(2)23-37-41(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29/h12-21,24-27,30-32H,22-23H2,1-11H3/t24-,25+,26+,27-,30-,31+,32+/m0/s1
InChIKeyWOYVFCCPZWTWRU-XAPHVVPESA-N
XLogP6.78
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.90
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
1-[Tert-butyl(diphenyl)silyl]oxy-5-(1,10-dioxaspiro[4.5]decan-2-yl)pentan-3-ol
CID 21583599
Tert-butyl-diphenyl-[2-(4,6,8-trioxadispiro[4.1.57.25]tetradecan-3-yl)ethoxy]silane
CID 101097657
tert-butyl-[(4R)-4-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]pentoxy]-diphenylsilane
CID 10054152
tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
CID 10623532
(3R)-3-[(4R,5R,6S)-6-[(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pentyl]-2,2,5-trimethyl-1,3-dioxan-4-yl]butan-2-one
CID 10721159
tert-butyl-[(2S)-2-[(4R,5S,6R)-6-[(2R)-1-iodopropan-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-diphenylsilane
CID 10875681
3-[(2R,3S,6S,8S)-8-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propan-1-ol
CID 11555801
[(2R,4R,6R)-2-[2-[(1S,2S,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-6-methoxyoxan-4-yl]oxy-tert-butyl-diphenylsilane
CID 13818336
(2R,4S,6R,8R,9S)-2-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhex-2-enyl]-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-4-ol
CID 13945645
tert-butyl-[2-[(2S,4S)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,5-dioxaspiro[5.5]undecan-2-yl]ethoxy]-diphenylsilane
CID 14164739

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane (CID 10897190) is tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane is C[C@@H]1[C@@H]([C@H](C)[C@H]2OC(C)(C)OC[C@@H]2C)OC(C)(C)O[C@@H]1[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane?
The InChIKey is WOYVFCCPZWTWRU-XAPHVVPESA-N. The full InChI is InChI=1S/C35H54O5Si/c1-24-22-36-34(8,9)38-30(24)26(3)32-27(4)31(39-35(10,11)40-32)25(2)23-37-41(33(5,6)7,28-18-14-12-15-19-28)29-20-16-13-17-21-29/h12-21,24-27,30-32H,22-23H2,1-11H3/t24-,25+,26+,27-,30-,31+,32+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane?
tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane has a molecular weight of 582.90 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2R)-2-[(4R,5S,6R)-2,2,5-trimethyl-6-[(1R)-1-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]ethyl]-1,3-dioxan-4-yl]propoxy]silane is sourced from PubChem (CID 10897190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).