dichloro-(5-methyl-1-phenylhexan-2-yl)silane

C13H20Cl2Si — CID 173440761

IUPACdichloro-(5-methyl-1-phenylhexan-2-yl)silane
SMILESCC(C)CCC(Cc1ccccc1)[SiH](Cl)Cl
InChIInChI=1S/C13H20Cl2Si/c1-11(2)8-9-13(16(14)15)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyXFWHYJLNECMOLB-UHFFFAOYSA-N
MW275.29 g/mol
LogP4.73
Rot. Bonds6

About dichloro-(5-methyl-1-phenylhexan-2-yl)silane

dichloro-(5-methyl-1-phenylhexan-2-yl)silane (PubChem CID 173440761) has the molecular formula C13H20Cl2Si and a molecular weight of 275.29 g/mol. Its IUPAC name is dichloro-(5-methyl-1-phenylhexan-2-yl)silane.

Molecular Properties

Compound Namedichloro-(5-methyl-1-phenylhexan-2-yl)silane
PubChem CID173440761
Molecular FormulaC13H20Cl2Si
Molecular Weight275.29 g/mol
Exact Mass274.07
IUPAC Namedichloro-(5-methyl-1-phenylhexan-2-yl)silane
SMILESCC(C)CCC(Cc1ccccc1)[SiH](Cl)Cl
InChIInChI=1S/C13H20Cl2Si/c1-11(2)8-9-13(16(14)15)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3
InChIKeyXFWHYJLNECMOLB-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 54.73
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(1-phenylhexan-2-yl)silane
CID 173438105
dichloro(1-phenyltridecan-2-yl)silane
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CID 173437721
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CID 56625667
ethene;3-methylbutylbenzene
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2,3-dimethylbutylbenzene
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(2-benzyl-3-methylbutyl)benzene
CID 22277918
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CID 174896483

Frequently Asked Questions

What is the IUPAC name of dichloro-(5-methyl-1-phenylhexan-2-yl)silane?
The IUPAC name of dichloro-(5-methyl-1-phenylhexan-2-yl)silane (CID 173440761) is dichloro-(5-methyl-1-phenylhexan-2-yl)silane.
What is the SMILES notation for dichloro-(5-methyl-1-phenylhexan-2-yl)silane?
The canonical SMILES for dichloro-(5-methyl-1-phenylhexan-2-yl)silane is CC(C)CCC(Cc1ccccc1)[SiH](Cl)Cl.
What is the InChIKey of dichloro-(5-methyl-1-phenylhexan-2-yl)silane?
The InChIKey is XFWHYJLNECMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2Si/c1-11(2)8-9-13(16(14)15)10-12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3.
What are the key properties of dichloro-(5-methyl-1-phenylhexan-2-yl)silane?
dichloro-(5-methyl-1-phenylhexan-2-yl)silane has a molecular weight of 275.29 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(5-methyl-1-phenylhexan-2-yl)silane is sourced from PubChem (CID 173440761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).