tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane

C28H42O3Si — CID 134866514

IUPACtert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C28H42O3Si/c1-22(20-23(2)26-18-19-29-28(6,7)31-26)21-30-32(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23,26H,18-21H2,1-7H3/t22-,23+,26+/m0/s1
InChIKeyFORICMBPOMCBNW-PPJWLVRDSA-N
MW454.73 g/mol
LogP5.77
Rot. Bonds8

About tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane

tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane (PubChem CID 134866514) has the molecular formula C28H42O3Si and a molecular weight of 454.73 g/mol. Its IUPAC name is tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
PubChem CID134866514
Molecular FormulaC28H42O3Si
Molecular Weight454.73 g/mol
Exact Mass454.29
IUPAC Nametert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C28H42O3Si/c1-22(20-23(2)26-18-19-29-28(6,7)31-26)21-30-32(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23,26H,18-21H2,1-7H3/t22-,23+,26+/m0/s1
InChIKeyFORICMBPOMCBNW-PPJWLVRDSA-N
XLogP5.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.73
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane with MolForge

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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-[(4S,6S)-6-(1-methoxyprop-2-enoxy)-4-methylnon-8-enoxy]-diphenylsilane
CID 11248642
tert-butyl-[(4S)-5-[(2R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-4-methylpentoxy]-diphenylsilane
CID 11476513
Silane, diphenylheptyloxy(5-methoxy-3-methylpentyloxy)-
CID 91732783
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-[(2S,6S)-2,6-dimethyloxan-4-yl]oxy-diphenylsilane
CID 10384425
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
(2R,3S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-3-ol
CID 10874560

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane (CID 134866514) is tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](C)[C@H]1CCOC(C)(C)O1.
What is the InChIKey of tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane?
The InChIKey is FORICMBPOMCBNW-PPJWLVRDSA-N. The full InChI is InChI=1S/C28H42O3Si/c1-22(20-23(2)26-18-19-29-28(6,7)31-26)21-30-32(27(3,4)5,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,22-23,26H,18-21H2,1-7H3/t22-,23+,26+/m0/s1.
What are the key properties of tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane?
tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane has a molecular weight of 454.73 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentoxy]-diphenylsilane is sourced from PubChem (CID 134866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).