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

C30H44O3Si — CID 11386094

IUPAC[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1C[C@@H]([C@H](C)/C=C/c2ccccc2)O[C@H](c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H44O3Si/c1-22(2)34(23(3)4,24(5)6)31-21-28-20-29(25(7)18-19-26-14-10-8-11-15-26)33-30(32-28)27-16-12-9-13-17-27/h8-19,22-25,28-30H,20-21H2,1-7H3/b19-18+/t25-,28+,29+,30-/m1/s1
InChIKeyVFNRSEMVGBFMHI-BPPLBJPCSA-N
MW480.77 g/mol
LogP8.40
Rot. Bonds10

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

[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 11386094) 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,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
PubChem CID11386094
Molecular FormulaC30H44O3Si
Molecular Weight480.77 g/mol
Exact Mass480.31
IUPAC Name[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1C[C@@H]([C@H](C)/C=C/c2ccccc2)O[C@H](c2ccccc2)O1)(C(C)C)C(C)C
InChIInChI=1S/C30H44O3Si/c1-22(2)34(23(3)4,24(5)6)31-21-28-20-29(25(7)18-19-26-14-10-8-11-15-26)33-30(32-28)27-16-12-9-13-17-27/h8-19,22-25,28-30H,20-21H2,1-7H3/b19-18+/t25-,28+,29+,30-/m1/s1
InChIKeyVFNRSEMVGBFMHI-BPPLBJPCSA-N
XLogP8.40
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 ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane (CID 11386094) is [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1C[C@@H]([C@H](C)/C=C/c2ccccc2)O[C@H](c2ccccc2)O1)(C(C)C)C(C)C.
What is the InChIKey of [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is VFNRSEMVGBFMHI-BPPLBJPCSA-N. The full InChI is InChI=1S/C30H44O3Si/c1-22(2)34(23(3)4,24(5)6)31-21-28-20-29(25(7)18-19-26-14-10-8-11-15-26)33-30(32-28)27-16-12-9-13-17-27/h8-19,22-25,28-30H,20-21H2,1-7H3/b19-18+/t25-,28+,29+,30-/m1/s1.
What are the key properties of [(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane?
[(2S,4S,6S)-2-phenyl-6-[(E,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 480.77 g/mol, XLogP of 8.40, 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,2R)-4-phenylbut-3-en-2-yl]-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 11386094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).