trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane

C13H18Cl6Si2 — CID 22404166

IUPACtrichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane
SMILESCC(C)(C(c1ccccc1)C(C)(C)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C13H18Cl6Si2/c1-12(2,20(14,15)16)11(10-8-6-5-7-9-10)13(3,4)21(17,18)19/h5-9,11H,1-4H3
InChIKeyJGXVOHAKZZAQOX-UHFFFAOYSA-N
MW443.18 g/mol
LogP7.64
Rot. Bonds5

About trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane

trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane (PubChem CID 22404166) has the molecular formula C13H18Cl6Si2 and a molecular weight of 443.18 g/mol. Its IUPAC name is trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane.

Molecular Properties

Compound Nametrichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane
PubChem CID22404166
Molecular FormulaC13H18Cl6Si2
Molecular Weight443.18 g/mol
Exact Mass439.91
IUPAC Nametrichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane
SMILESCC(C)(C(c1ccccc1)C(C)(C)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChIInChI=1S/C13H18Cl6Si2/c1-12(2,20(14,15)16)11(10-8-6-5-7-9-10)13(3,4)21(17,18)19/h5-9,11H,1-4H3
InChIKeyJGXVOHAKZZAQOX-UHFFFAOYSA-N
XLogP7.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.18
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloro-(4-dichlorosilyl-2,4-dimethyl-3-phenylpentan-2-yl)silane
CID 173338548
chloromethane;cumene;ethane
CID 160847695
CID 22404164
CID 22404164
(R)-[tert-butyl(dimethyl)silyl]-phenylmethanol
CID 101051972
(2,4,4-trimethyl-3-phenylpentan-2-yl)oxysilane
CID 173016969
tert-butylbenzene;chloromethane;ethane
CID 91149652
ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
cumene;ethane
CID 54306132
ethane;1-phenylethylbenzene
CID 164998811
trichloro-[(1S)-2-deuterio-1-phenylethyl]silane
CID 10752581
(1R,2S)-2,3,3-trimethyl-1-phenylbutane-1,2-diol
CID 10774737
(1-chloro-1,2-diphenylpropan-2-yl)benzene
CID 146405776

Frequently Asked Questions

What is the IUPAC name of trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane?
The IUPAC name of trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane (CID 22404166) is trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane.
What is the SMILES notation for trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane?
The canonical SMILES for trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane is CC(C)(C(c1ccccc1)C(C)(C)[Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane?
The InChIKey is JGXVOHAKZZAQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl6Si2/c1-12(2,20(14,15)16)11(10-8-6-5-7-9-10)13(3,4)21(17,18)19/h5-9,11H,1-4H3.
What are the key properties of trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane?
trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane has a molecular weight of 443.18 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-(2,4-dimethyl-3-phenyl-4-trichlorosilylpentan-2-yl)silane is sourced from PubChem (CID 22404166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).