3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane

C30H32Cl2OSi2 — CID 71387414

IUPAC3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane
SMILESClCCC[Si](O[Si](CCCCl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32Cl2OSi2/c31-23-13-25-34(27-15-5-1-6-16-27,28-17-7-2-8-18-28)33-35(26-14-24-32,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22H,13-14,23-26H2
InChIKeyNEMHQJBVJGDOOA-UHFFFAOYSA-N
MW535.66 g/mol
LogP5.78
Rot. Bonds12

About 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane

3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane (PubChem CID 71387414) has the molecular formula C30H32Cl2OSi2 and a molecular weight of 535.66 g/mol. Its IUPAC name is 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane.

Molecular Properties

Compound Name3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane
PubChem CID71387414
Molecular FormulaC30H32Cl2OSi2
Molecular Weight535.66 g/mol
Exact Mass534.14
IUPAC Name3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane
SMILESClCCC[Si](O[Si](CCCCl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32Cl2OSi2/c31-23-13-25-34(27-15-5-1-6-16-27,28-17-7-2-8-18-28)33-35(26-14-24-32,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22H,13-14,23-26H2
InChIKeyNEMHQJBVJGDOOA-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.66
LogP ≤ 55.78
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'}

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Related Compounds

3-chloropropyl-methyl-phenyl-(2,2,2-trifluoroethyl)silane;methane
CID 157494936
dichloro-(2-chloroethyl)-phenylsilane
CID 21404932
chloromethyl-methoxy-diphenylsilane
CID 66969961
bis(8-chlorooctoxy)-diphenylsilane
CID 91694774
[[ethyl(diphenyl)silyl]oxy-diphenylsilyl]methanamine
CID 157067063
triphenylsilyl 4-chlorobutanoate
CID 87706253
pentyl-diphenyl-phenylmethoxysilane
CID 174977994
benzyl-[benzyl-(4-methylphenyl)-phenylsilyl]oxy-(4-methylphenyl)-phenylsilane
CID 20591729
phenoxy-diphenyl-propylsilane
CID 66773867
1-(3-chloropropoxy)-4-(2-phenoxyethoxy)benzene
CID 19980783
chloro-methyl-phenyl-trimethylsilyloxysilane
CID 12729910
2-[dimethyl(triphenylsilyloxy)silyl]ethyl-dimethyl-triphenylsilyloxysilane
CID 140828433

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane?
The IUPAC name of 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane (CID 71387414) is 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane.
What is the SMILES notation for 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane?
The canonical SMILES for 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane is ClCCC[Si](O[Si](CCCCl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane?
The InChIKey is NEMHQJBVJGDOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2OSi2/c31-23-13-25-34(27-15-5-1-6-16-27,28-17-7-2-8-18-28)33-35(26-14-24-32,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-22H,13-14,23-26H2.
What are the key properties of 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane?
3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane has a molecular weight of 535.66 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-[3-chloropropyl(diphenyl)silyl]oxy-diphenylsilane is sourced from PubChem (CID 71387414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).