3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane

C29H28Cl2OSi2 — CID 67069023

IUPAC3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane
SMILESClC[Si]1(CCl)CCC(c2ccccc2)(c2ccccc2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28Cl2OSi2/c30-23-33(24-31)22-21-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)32-34(33,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyBMAOLXWFPKPWOP-UHFFFAOYSA-N
MW519.62 g/mol
LogP6.19
Rot. Bonds6

About 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane

3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane (PubChem CID 67069023) has the molecular formula C29H28Cl2OSi2 and a molecular weight of 519.62 g/mol. Its IUPAC name is 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane.

Molecular Properties

Compound Name3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane
PubChem CID67069023
Molecular FormulaC29H28Cl2OSi2
Molecular Weight519.62 g/mol
Exact Mass518.11
IUPAC Name3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane
SMILESClC[Si]1(CCl)CCC(c2ccccc2)(c2ccccc2)O[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28Cl2OSi2/c30-23-33(24-31)22-21-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)32-34(33,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyBMAOLXWFPKPWOP-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.62
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane?
The IUPAC name of 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane (CID 67069023) is 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane.
What is the SMILES notation for 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane?
The canonical SMILES for 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane is ClC[Si]1(CCl)CCC(c2ccccc2)(c2ccccc2)O[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane?
The InChIKey is BMAOLXWFPKPWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2OSi2/c30-23-33(24-31)22-21-29(25-13-5-1-6-14-25,26-15-7-2-8-16-26)32-34(33,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane?
3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane has a molecular weight of 519.62 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(chloromethyl)-2,2,6,6-tetraphenyloxadisilinane is sourced from PubChem (CID 67069023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).