bis(3-chlorophenyl)-didodecylsilane

C36H58Cl2Si — CID 3247729

IUPACbis(3-chlorophenyl)-didodecylsilane
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C36H58Cl2Si/c1-3-5-7-9-11-13-15-17-19-21-29-39(35-27-23-25-33(37)31-35,36-28-24-26-34(38)32-36)30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32H,3-22,29-30H2,1-2H3
InChIKeyPSMPXSKUQDQREP-UHFFFAOYSA-N
MW589.85 g/mol
LogP12.40
Rot. Bonds24

About bis(3-chlorophenyl)-didodecylsilane

bis(3-chlorophenyl)-didodecylsilane (PubChem CID 3247729) has the molecular formula C36H58Cl2Si and a molecular weight of 589.85 g/mol. Its IUPAC name is bis(3-chlorophenyl)-didodecylsilane.

Molecular Properties

Compound Namebis(3-chlorophenyl)-didodecylsilane
PubChem CID3247729
Molecular FormulaC36H58Cl2Si
Molecular Weight589.85 g/mol
Exact Mass588.37
IUPAC Namebis(3-chlorophenyl)-didodecylsilane
SMILESCCCCCCCCCCCC[Si](CCCCCCCCCCCC)(c1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C36H58Cl2Si/c1-3-5-7-9-11-13-15-17-19-21-29-39(35-27-23-25-33(37)31-35,36-28-24-26-34(38)32-36)30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32H,3-22,29-30H2,1-2H3
InChIKeyPSMPXSKUQDQREP-UHFFFAOYSA-N
XLogP12.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.85
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dibutoxy-butyl-(3-chlorophenyl)silane
CID 159988297
1-chloro-3-octylbenzene
CID 11458768
dichloro-heptyl-phenylsilane
CID 101161411
butane;1,3-dichlorobenzene
CID 174455068
heptadecyl(triphenyl)silane
CID 4520075
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
CID 12059876
chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835
decyl-methyl-diphenylsilane
CID 15259590
icosyl-dimethyl-phenylsilane
CID 91054385
dihexyl-methyl-phenylsilane
CID 71342172
1-(3-chlorophenyl)undecan-1-amine
CID 63411961

Frequently Asked Questions

What is the IUPAC name of bis(3-chlorophenyl)-didodecylsilane?
The IUPAC name of bis(3-chlorophenyl)-didodecylsilane (CID 3247729) is bis(3-chlorophenyl)-didodecylsilane.
What is the SMILES notation for bis(3-chlorophenyl)-didodecylsilane?
The canonical SMILES for bis(3-chlorophenyl)-didodecylsilane is CCCCCCCCCCCC[Si](CCCCCCCCCCCC)(c1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of bis(3-chlorophenyl)-didodecylsilane?
The InChIKey is PSMPXSKUQDQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58Cl2Si/c1-3-5-7-9-11-13-15-17-19-21-29-39(35-27-23-25-33(37)31-35,36-28-24-26-34(38)32-36)30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32H,3-22,29-30H2,1-2H3.
What are the key properties of bis(3-chlorophenyl)-didodecylsilane?
bis(3-chlorophenyl)-didodecylsilane has a molecular weight of 589.85 g/mol, XLogP of 12.40, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorophenyl)-didodecylsilane is sourced from PubChem (CID 3247729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).