[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

C30H44O3Si — CID 11179119

IUPAC[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESC/C=C/[C@@H](c1ccccc1)[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C30H44O3Si/c1-8-15-28(25-16-11-9-12-17-25)29-20-27(32-30(33-29)26-18-13-10-14-19-26)21-31-34(22(2)3,23(4)5)24(6)7/h8-19,22-24,27-30H,20-21H2,1-7H3/b15-8+/t27-,28-,29-,30+/m0/s1
InChIKeyUZGAURUVJGUCEY-DGFAPAJOSA-N
MW480.77 g/mol
LogP8.41
Rot. Bonds10

About [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane

[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11179119) has the molecular formula C30H44O3Si and a molecular weight of 480.77 g/mol. Its IUPAC name is [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11179119
Molecular FormulaC30H44O3Si
Molecular Weight480.77 g/mol
Exact Mass480.31
IUPAC Name[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESC/C=C/[C@@H](c1ccccc1)[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](c2ccccc2)O1
InChIInChI=1S/C30H44O3Si/c1-8-15-28(25-16-11-9-12-17-25)29-20-27(32-30(33-29)26-18-13-10-14-19-26)21-31-34(22(2)3,23(4)5)24(6)7/h8-19,22-24,27-30H,20-21H2,1-7H3/b15-8+/t27-,28-,29-,30+/m0/s1
InChIKeyUZGAURUVJGUCEY-DGFAPAJOSA-N
XLogP8.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.77
LogP ≤ 58.41
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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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 11179119) is [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is C/C=C/[C@@H](c1ccccc1)[C@@H]1C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)O[C@@H](c2ccccc2)O1.
What is the InChIKey of [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is UZGAURUVJGUCEY-DGFAPAJOSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-8-15-28(25-16-11-9-12-17-25)29-20-27(32-30(33-29)26-18-13-10-14-19-26)21-31-34(22(2)3,23(4)5)24(6)7/h8-19,22-24,27-30H,20-21H2,1-7H3/b15-8+/t27-,28-,29-,30+/m0/s1.
What are the key properties of [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 480.77 g/mol, XLogP of 8.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,6S)-2-phenyl-6-[(E,1S)-1-phenylbut-2-enyl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11179119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).