chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane

C25H37ClSi — CID 54497975

IUPACchloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
SMILESCC(C)(C)C(C)(C)C(C)(C(C)(C)C)[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37ClSi/c1-22(2,3)24(7,8)25(9,23(4,5)6)27(26,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3
InChIKeyYALKPDIYNLFFJU-UHFFFAOYSA-N
MW401.11 g/mol
LogP6.86
Rot. Bonds4

About chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane

chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane (PubChem CID 54497975) has the molecular formula C25H37ClSi and a molecular weight of 401.11 g/mol. Its IUPAC name is chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane.

Molecular Properties

Compound Namechloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
PubChem CID54497975
Molecular FormulaC25H37ClSi
Molecular Weight401.11 g/mol
Exact Mass400.24
IUPAC Namechloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane
SMILESCC(C)(C)C(C)(C)C(C)(C(C)(C)C)[Si](Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37ClSi/c1-22(2,3)24(7,8)25(9,23(4,5)6)27(26,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3
InChIKeyYALKPDIYNLFFJU-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.11
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane 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 chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane?
The IUPAC name of chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane (CID 54497975) is chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane.
What is the SMILES notation for chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane?
The canonical SMILES for chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane is CC(C)(C)C(C)(C)C(C)(C(C)(C)C)[Si](Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane?
The InChIKey is YALKPDIYNLFFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37ClSi/c1-22(2,3)24(7,8)25(9,23(4,5)6)27(26,20-16-12-10-13-17-20)21-18-14-11-15-19-21/h10-19H,1-9H3.
What are the key properties of chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane?
chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane has a molecular weight of 401.11 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,2,3,4,4,5,5-heptamethylhexan-3-yl)-diphenylsilane is sourced from PubChem (CID 54497975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).