dichloro(1-phenylhexan-2-yl)silane

C12H18Cl2Si — CID 173438105

IUPACdichloro(1-phenylhexan-2-yl)silane
SMILESCCCCC(Cc1ccccc1)[SiH](Cl)Cl
InChIInChI=1S/C12H18Cl2Si/c1-2-3-9-12(15(13)14)10-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3
InChIKeySIMNSJYIKIRUML-UHFFFAOYSA-N
MW261.27 g/mol
LogP4.49
Rot. Bonds6

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

dichloro(1-phenylhexan-2-yl)silane (PubChem CID 173438105) has the molecular formula C12H18Cl2Si and a molecular weight of 261.27 g/mol. Its IUPAC name is dichloro(1-phenylhexan-2-yl)silane.

Molecular Properties

Compound Namedichloro(1-phenylhexan-2-yl)silane
PubChem CID173438105
Molecular FormulaC12H18Cl2Si
Molecular Weight261.27 g/mol
Exact Mass260.06
IUPAC Namedichloro(1-phenylhexan-2-yl)silane
SMILESCCCCC(Cc1ccccc1)[SiH](Cl)Cl
InChIInChI=1S/C12H18Cl2Si/c1-2-3-9-12(15(13)14)10-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3
InChIKeySIMNSJYIKIRUML-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 54.49
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-phenyltridecan-2-yl)silane
CID 173437797
dichloro(1-phenylpentadecan-2-yl)silane
CID 173437721
dichloro-(5-methyl-1-phenylhexan-2-yl)silane
CID 173440761
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
dichloro(1-phenylpentyl)silane
CID 173039565
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-benzyltetradecylbenzene
CID 22920205
(3S)-3-benzylheptan-1-ol
CID 15214037
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
methane;2-methylpropylbenzene;pentane
CID 162015938
5-benzyl-4-propylnonan-4-amine;hydrochloride
CID 173427101

Frequently Asked Questions

What is the IUPAC name of dichloro(1-phenylhexan-2-yl)silane?
The IUPAC name of dichloro(1-phenylhexan-2-yl)silane (CID 173438105) is dichloro(1-phenylhexan-2-yl)silane.
What is the SMILES notation for dichloro(1-phenylhexan-2-yl)silane?
The canonical SMILES for dichloro(1-phenylhexan-2-yl)silane is CCCCC(Cc1ccccc1)[SiH](Cl)Cl.
What is the InChIKey of dichloro(1-phenylhexan-2-yl)silane?
The InChIKey is SIMNSJYIKIRUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2Si/c1-2-3-9-12(15(13)14)10-11-7-5-4-6-8-11/h4-8,12,15H,2-3,9-10H2,1H3.
What are the key properties of dichloro(1-phenylhexan-2-yl)silane?
dichloro(1-phenylhexan-2-yl)silane has a molecular weight of 261.27 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(1-phenylhexan-2-yl)silane is sourced from PubChem (CID 173438105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).