Dihexyl(phenyl)silane

C18H31Si — CID 10923838

IUPAC—
SMILESCCCCCC[Si](CCCCCC)c1ccccc1
InChIInChI=1S/C18H31Si/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyXWAMNXFZWZHSJN-UHFFFAOYSA-N
MW275.53 g/mol
LogP5.55
Rot. Bonds11

About Dihexyl(phenyl)silane

Dihexyl(phenyl)silane (PubChem CID 10923838) has the molecular formula C18H31Si and a molecular weight of 275.53 g/mol.

Molecular Properties

Compound NameDihexyl(phenyl)silane
PubChem CID10923838
Molecular FormulaC18H31Si
Molecular Weight275.53 g/mol
Exact Mass275.22
IUPAC Name—
SMILESCCCCCC[Si](CCCCCC)c1ccccc1
InChIInChI=1S/C18H31Si/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3
InChIKeyXWAMNXFZWZHSJN-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.53
LogP ≤ 55.55
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

CID 45050202
CID 45050202
CID 137019124
CID 137019124
1,1'-biphenyl;hexadecane
CID 173308514
heptadecane;triphenylphosphanium;bromide
CID 18781891
1-Diphenylsilyloxypentadecane
CID 6329518
benzene;heptane;hexane;toluene
CID 160959480
CID 174509457
CID 174509457
bis(heptane);toluene
CID 157306102
CID 137265378
CID 137265378
decane;sulfane;toluene
CID 157105742
dodecane;phenol
CID 157210063
hexakis(decane);ethylbenzene
CID 173398562

Frequently Asked Questions

What is the IUPAC name of Dihexyl(phenyl)silane?
The IUPAC name of Dihexyl(phenyl)silane (CID 10923838) is not available.
What is the SMILES notation for Dihexyl(phenyl)silane?
The canonical SMILES for Dihexyl(phenyl)silane is CCCCCC[Si](CCCCCC)c1ccccc1.
What is the InChIKey of Dihexyl(phenyl)silane?
The InChIKey is XWAMNXFZWZHSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31Si/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3.
What are the key properties of Dihexyl(phenyl)silane?
Dihexyl(phenyl)silane has a molecular weight of 275.53 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Dihexyl(phenyl)silane is sourced from PubChem (CID 10923838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).