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

C31H46O3Si2 — CID 51002642

IUPACtert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane
SMILESC[C@@H]1[C@H]([C@@H](C)C#C[Si](C)(C)C)OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H46O3Si2/c1-24(21-22-35(8,9)10)29-25(2)28(33-31(6,7)34-29)23-32-36(30(3,4)5,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25,28-29H,23H2,1-10H3/t24-,25-,28-,29-/m0/s1
InChIKeyPQDVOUZYYDSXBL-NSIYGSDQSA-N
MW522.88 g/mol
LogP6.24
Rot. Bonds6

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

tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane (PubChem CID 51002642) has the molecular formula C31H46O3Si2 and a molecular weight of 522.88 g/mol. Its IUPAC name is tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane
PubChem CID51002642
Molecular FormulaC31H46O3Si2
Molecular Weight522.88 g/mol
Exact Mass522.30
IUPAC Nametert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane
SMILESC[C@@H]1[C@H]([C@@H](C)C#C[Si](C)(C)C)OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C31H46O3Si2/c1-24(21-22-35(8,9)10)29-25(2)28(33-31(6,7)34-29)23-32-36(30(3,4)5,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25,28-29H,23H2,1-10H3/t24-,25-,28-,29-/m0/s1
InChIKeyPQDVOUZYYDSXBL-NSIYGSDQSA-N
XLogP6.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.88
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
CID 10623532
tert-butyl-[2-[(4S,6S)-6-ethynyl-2,2-dimethyl-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 10949899
tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
CID 11203055
(3S,4R)-1-[tert-butyl(diphenyl)silyl]oxy-3-methyl-8-(oxan-2-yloxy)oct-6-yn-4-ol
CID 16202333
[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
CID 23635572
(E,4R)-4-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-2-enal
CID 23635573
(2R,3R,4S,5S)-1-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethyl-7-trimethylsilylhept-6-yne-2,4-diol
CID 51002641
tert-butyl-[(2S,3R)-2-ethynyl-4,4-dimethyl-2-[(3R)-5-trimethylsilylpent-1-en-4-yn-3-yl]oxyoxolan-3-yl]oxy-diphenylsilane
CID 101090282
tert-butyl-[(2S,3R)-2-ethynyl-4,4-dimethyl-2-[(3S)-5-trimethylsilylpent-1-en-4-yn-3-yl]oxyoxolan-3-yl]oxy-diphenylsilane
CID 101090284
CID 134883016
CID 134883016
(5R,6S)-8-[tert-butyl(diphenyl)silyl]oxy-5-(methoxymethoxy)-6-methyloct-2-yn-1-ol
CID 134972368
(2R)-2-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]propan-1-ol
CID 134973355

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane (CID 51002642) is tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane is C[C@@H]1[C@H]([C@@H](C)C#C[Si](C)(C)C)OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane?
The InChIKey is PQDVOUZYYDSXBL-NSIYGSDQSA-N. The full InChI is InChI=1S/C31H46O3Si2/c1-24(21-22-35(8,9)10)29-25(2)28(33-31(6,7)34-29)23-32-36(30(3,4)5,26-17-13-11-14-18-26)27-19-15-12-16-20-27/h11-20,24-25,28-29H,23H2,1-10H3/t24-,25-,28-,29-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane?
tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane has a molecular weight of 522.88 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane is sourced from PubChem (CID 51002642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).