tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane

C28H40O3Si — CID 10623532

IUPACtert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
SMILESC[C@H]1COC(C)(C)O[C@@H]1CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-23-22-29-28(5,6)31-26(23)20-14-9-15-21-30-32(27(2,3)4,24-16-10-7-11-17-24)25-18-12-8-13-19-25/h7-13,15-19,23,26H,14,20-22H2,1-6H3/b15-9+/t23-,26+/m0/s1
InChIKeyXVBZMVPFGZDHPH-LFJIKATCSA-N
MW452.71 g/mol
LogP5.69
Rot. Bonds8

About tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane

tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane (PubChem CID 10623532) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
PubChem CID10623532
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane
SMILESC[C@H]1COC(C)(C)O[C@@H]1CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H40O3Si/c1-23-22-29-28(5,6)31-26(23)20-14-9-15-21-30-32(27(2,3)4,24-16-10-7-11-17-24)25-18-12-8-13-19-25/h7-13,15-19,23,26H,14,20-22H2,1-6H3/b15-9+/t23-,26+/m0/s1
InChIKeyXVBZMVPFGZDHPH-LFJIKATCSA-N
XLogP5.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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, diphenyl(2-methylpent-3-yloxy)pentyloxy-
CID 91740058
Silane, diphenyl(2,4-dimethylpent-3-yloxy)pentyloxy-
CID 91740063
Silane, diphenyl(hex-3-yloxy)isohexyloxy-
CID 91740866
Silane, diphenyl(hept-2-yloxy)isohexyloxy-
CID 91740887
Silane, diphenylisohexyloxy(3-methylbut-2-yloxy)-
CID 91740888
Silane, diphenylhexyloxy(3-methylbut-2-yloxy)-
CID 91740889
Silane, diphenyl(hex-2-yloxy)isohexyloxy-
CID 91740892
Silane, diphenylisohexyloxy(2-methylpent-3-yloxy)-
CID 91740897
Silane, diphenylhexyloxy(2-methylpent-3-yloxy)-
CID 91740898
Silane, diphenyl(2,4-dimethylpent-3-yloxy)hexyloxy-
CID 91740901

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane (CID 10623532) is tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane is C[C@H]1COC(C)(C)O[C@@H]1CC/C=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane?
The InChIKey is XVBZMVPFGZDHPH-LFJIKATCSA-N. The full InChI is InChI=1S/C28H40O3Si/c1-23-22-29-28(5,6)31-26(23)20-14-9-15-21-30-32(27(2,3)4,24-16-10-7-11-17-24)25-18-12-8-13-19-25/h7-13,15-19,23,26H,14,20-22H2,1-6H3/b15-9+/t23-,26+/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane?
tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane has a molecular weight of 452.71 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(E)-5-[(4R,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-2-enoxy]silane is sourced from PubChem (CID 10623532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).