2-chloropropoxy-hexoxy-diphenylsilane

C21H29ClO2Si — CID 91722793

IUPAC2-chloropropoxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OCC(C)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ClO2Si/c1-3-4-5-12-17-23-25(24-18-19(2)22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,17-18H2,1-2H3
InChIKeyROWXHJFFVYMJTG-UHFFFAOYSA-N
MW377.00 g/mol
LogP4.48
Rot. Bonds11

About 2-chloropropoxy-hexoxy-diphenylsilane

2-chloropropoxy-hexoxy-diphenylsilane (PubChem CID 91722793) has the molecular formula C21H29ClO2Si and a molecular weight of 377.00 g/mol. Its IUPAC name is 2-chloropropoxy-hexoxy-diphenylsilane.

Molecular Properties

Compound Name2-chloropropoxy-hexoxy-diphenylsilane
PubChem CID91722793
Molecular FormulaC21H29ClO2Si
Molecular Weight377.00 g/mol
Exact Mass376.16
IUPAC Name2-chloropropoxy-hexoxy-diphenylsilane
SMILESCCCCCCO[Si](OCC(C)Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29ClO2Si/c1-3-4-5-12-17-23-25(24-18-19(2)22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,17-18H2,1-2H3
InChIKeyROWXHJFFVYMJTG-UHFFFAOYSA-N
XLogP4.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.00
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloropropoxy-hexoxy-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

decoxy-diphenyl-(2,4,4-trimethylpentoxy)silane
CID 91743177
3-methylpentoxy-octoxy-diphenylsilane
CID 91732735
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
2-fluoroethoxy-octadecoxy-diphenylsilane
CID 91717520
3-methylbutan-2-yloxy-diphenyl-tridecoxysilane
CID 91744362
hexoxy-(5-methoxy-3-methylpentoxy)-diphenylsilane
CID 91732710
2-ethoxyethoxy-octoxy-diphenylsilane
CID 91742546
hexan-2-yloxy-octoxy-diphenylsilane
CID 91742037
heptoxy-hexan-2-yloxy-diphenylsilane
CID 91741501
dodecoxy-heptan-4-yloxy-diphenylsilane
CID 91744015
but-3-enoxy-heptoxy-diphenylsilane
CID 91741471
heptoxy-[(E)-non-3-enoxy]-diphenylsilane
CID 91741470

Frequently Asked Questions

What is the IUPAC name of 2-chloropropoxy-hexoxy-diphenylsilane?
The IUPAC name of 2-chloropropoxy-hexoxy-diphenylsilane (CID 91722793) is 2-chloropropoxy-hexoxy-diphenylsilane.
What is the SMILES notation for 2-chloropropoxy-hexoxy-diphenylsilane?
The canonical SMILES for 2-chloropropoxy-hexoxy-diphenylsilane is CCCCCCO[Si](OCC(C)Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-chloropropoxy-hexoxy-diphenylsilane?
The InChIKey is ROWXHJFFVYMJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClO2Si/c1-3-4-5-12-17-23-25(24-18-19(2)22,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,17-18H2,1-2H3.
What are the key properties of 2-chloropropoxy-hexoxy-diphenylsilane?
2-chloropropoxy-hexoxy-diphenylsilane has a molecular weight of 377.00 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropoxy-hexoxy-diphenylsilane is sourced from PubChem (CID 91722793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).