tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane

C26H38O3Si — CID 10598542

IUPACtert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COC1CCCCO1
InChIInChI=1S/C26H38O3Si/c1-22(21-28-25-17-11-12-19-27-25)18-20-29-30(26(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25?/m0/s1
InChIKeyTZEMLJXDLQQIJR-XADRRFQNSA-N
MW426.67 g/mol
LogP5.13
Rot. Bonds9

About tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane

tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane (PubChem CID 10598542) has the molecular formula C26H38O3Si and a molecular weight of 426.67 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane
PubChem CID10598542
Molecular FormulaC26H38O3Si
Molecular Weight426.67 g/mol
Exact Mass426.26
IUPAC Nametert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane
SMILESC[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COC1CCCCO1
InChIInChI=1S/C26H38O3Si/c1-22(21-28-25-17-11-12-19-27-25)18-20-29-30(26(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25?/m0/s1
InChIKeyTZEMLJXDLQQIJR-XADRRFQNSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.67
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(t-BUTYLDIPHENYLSILYLOXY)-6-FLUORO-7-(2-TETRAHYDROPYRANYLOXY)-5-HEPTENE
CID 53929479
tert-butyl-diphenyl-[(2R)-10,10,10-trifluoro-1-(oxan-2-yloxy)dec-4-en-2-yl]oxysilane
CID 67913893
Tert-butyldiphenyl((2-(trifluoromethyl)-1,3-dioxan-5-yl)methoxy)silane
CID 131747543
tert-butyl-[(E)-6-fluoro-7-(oxan-2-yloxy)hept-5-enoxy]-diphenylsilane
CID 139774217
Tert-butyl-[2,2-difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 142591929
tert-butyl-[(E)-4-(oxan-2-yloxy)-2-(2,2,2-trifluoroethyl)but-2-enoxy]-diphenylsilane
CID 171813177
tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
CID 172679891
[2,2-Difluoro-4-(oxan-2-yloxy)butoxy]-diphenylsilane
CID 175061850
tert-butyl-[2,2-difluoro-4-[(2R)-oxan-2-yl]oxybutoxy]-diphenylsilane
CID 175967985
Tert-butyl-[4,4-difluoro-5-(oxan-2-yloxy)pentoxy]-diphenylsilane
CID 176410539
Silane, diphenylisohexyloxy(5-methoxy-3-methylpentyloxy)-
CID 91698381
Silane, diphenylhexyloxy(5-methoxy-3-methylpentyloxy)-
CID 91732710

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane (CID 10598542) is tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane is C[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)COC1CCCCO1.
What is the InChIKey of tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
The InChIKey is TZEMLJXDLQQIJR-XADRRFQNSA-N. The full InChI is InChI=1S/C26H38O3Si/c1-22(21-28-25-17-11-12-19-27-25)18-20-29-30(26(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-10,13-16,22,25H,11-12,17-21H2,1-4H3/t22-,25?/m0/s1.
What are the key properties of tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane?
tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane has a molecular weight of 426.67 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-methyl-4-(oxan-2-yloxy)butoxy]-diphenylsilane is sourced from PubChem (CID 10598542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).