3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane

C33H34OSi2 — CID 175604435

IUPAC3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane
SMILESC[Si]1(C)CCC(C=Cc2ccccc2)(C=Cc2ccccc2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34OSi2/c1-35(2)28-27-33(25-23-29-15-7-3-8-16-29,26-24-30-17-9-4-10-18-30)34-36(35,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,27-28H2,1-2H3
InChIKeySISKXZYDASPVSP-UHFFFAOYSA-N
MW502.81 g/mol
LogP7.12
Rot. Bonds6

About 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane

3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane (PubChem CID 175604435) has the molecular formula C33H34OSi2 and a molecular weight of 502.81 g/mol. Its IUPAC name is 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane.

Molecular Properties

Compound Name3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane
PubChem CID175604435
Molecular FormulaC33H34OSi2
Molecular Weight502.81 g/mol
Exact Mass502.21
IUPAC Name3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane
SMILESC[Si]1(C)CCC(C=Cc2ccccc2)(C=Cc2ccccc2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34OSi2/c1-35(2)28-27-33(25-23-29-15-7-3-8-16-29,26-24-30-17-9-4-10-18-30)34-36(35,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,27-28H2,1-2H3
InChIKeySISKXZYDASPVSP-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms36
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.81
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane?
The IUPAC name of 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane (CID 175604435) is 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane.
What is the SMILES notation for 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane?
The canonical SMILES for 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane is C[Si]1(C)CCC(C=Cc2ccccc2)(C=Cc2ccccc2)O[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane?
The InChIKey is SISKXZYDASPVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34OSi2/c1-35(2)28-27-33(25-23-29-15-7-3-8-16-29,26-24-30-17-9-4-10-18-30)34-36(35,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-26H,27-28H2,1-2H3.
What are the key properties of 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane?
3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane has a molecular weight of 502.81 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2,2-diphenyl-6,6-bis(2-phenylethenyl)oxadisilinane is sourced from PubChem (CID 175604435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).