[dihexyl(phenyl)silyl]-dihexyl-phenylsilane

C36H62Si2 — CID 12059876

IUPAC[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
SMILESCCCCCC[Si](CCCCCC)(c1ccccc1)[Si](CCCCCC)(CCCCCC)c1ccccc1
InChIInChI=1S/C36H62Si2/c1-5-9-13-23-31-37(32-24-14-10-6-2,35-27-19-17-20-28-35)38(33-25-15-11-7-3,34-26-16-12-8-4)36-29-21-18-22-30-36/h17-22,27-30H,5-16,23-26,31-34H2,1-4H3
InChIKeyHODKMAUDQSTPRP-UHFFFAOYSA-N
MW551.06 g/mol
LogP11.10
Rot. Bonds23

About [dihexyl(phenyl)silyl]-dihexyl-phenylsilane

[dihexyl(phenyl)silyl]-dihexyl-phenylsilane (PubChem CID 12059876) has the molecular formula C36H62Si2 and a molecular weight of 551.06 g/mol. Its IUPAC name is [dihexyl(phenyl)silyl]-dihexyl-phenylsilane.

Molecular Properties

Compound Name[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
PubChem CID12059876
Molecular FormulaC36H62Si2
Molecular Weight551.06 g/mol
Exact Mass550.44
IUPAC Name[dihexyl(phenyl)silyl]-dihexyl-phenylsilane
SMILESCCCCCC[Si](CCCCCC)(c1ccccc1)[Si](CCCCCC)(CCCCCC)c1ccccc1
InChIInChI=1S/C36H62Si2/c1-5-9-13-23-31-37(32-24-14-10-6-2,35-27-19-17-20-28-35)38(33-25-15-11-7-3,34-26-16-12-8-4)36-29-21-18-22-30-36/h17-22,27-30H,5-16,23-26,31-34H2,1-4H3
InChIKeyHODKMAUDQSTPRP-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.06
LogP ≤ 511.10
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

heptadecyl(triphenyl)silane
CID 4520075
icosyl-dimethyl-phenylsilane
CID 91054385
dichloro-heptyl-phenylsilane
CID 101161411
decyl-methyl-diphenylsilane
CID 15259590
dihexyl-methyl-phenylsilane
CID 71342172
iodo-methyl-octyl-phenylsilane
CID 154486879
chloro-methyl-octyl-phenylsilane
CID 66989770
chloro-hexyl-iodo-phenylsilane
CID 154486835
[dimethyl(phenyl)silyl]-hexyl-methoxy-methylsilane
CID 139631934
1,1'-biphenyl;hexadecane
CID 173308514
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
butyl-dihydroxy-phenylsilane
CID 23312649

Frequently Asked Questions

What is the IUPAC name of [dihexyl(phenyl)silyl]-dihexyl-phenylsilane?
The IUPAC name of [dihexyl(phenyl)silyl]-dihexyl-phenylsilane (CID 12059876) is [dihexyl(phenyl)silyl]-dihexyl-phenylsilane.
What is the SMILES notation for [dihexyl(phenyl)silyl]-dihexyl-phenylsilane?
The canonical SMILES for [dihexyl(phenyl)silyl]-dihexyl-phenylsilane is CCCCCC[Si](CCCCCC)(c1ccccc1)[Si](CCCCCC)(CCCCCC)c1ccccc1.
What is the InChIKey of [dihexyl(phenyl)silyl]-dihexyl-phenylsilane?
The InChIKey is HODKMAUDQSTPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62Si2/c1-5-9-13-23-31-37(32-24-14-10-6-2,35-27-19-17-20-28-35)38(33-25-15-11-7-3,34-26-16-12-8-4)36-29-21-18-22-30-36/h17-22,27-30H,5-16,23-26,31-34H2,1-4H3.
What are the key properties of [dihexyl(phenyl)silyl]-dihexyl-phenylsilane?
[dihexyl(phenyl)silyl]-dihexyl-phenylsilane has a molecular weight of 551.06 g/mol, XLogP of 11.10, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dihexyl(phenyl)silyl]-dihexyl-phenylsilane is sourced from PubChem (CID 12059876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).