methyl(2-phenylethyl)silane;dihydrochloride

C9H16Cl2Si — CID 172678785

IUPACmethyl(2-phenylethyl)silane;dihydrochloride
SMILESC[SiH2]CCc1ccccc1.Cl.Cl
InChIInChI=1S/C9H14Si.2ClH/c1-10-8-7-9-5-3-2-4-6-9;;/h2-6H,7-8,10H2,1H3;2*1H
InChIKeyACHZDNFWEKJQNN-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.71
Rot. Bonds3

About methyl(2-phenylethyl)silane;dihydrochloride

methyl(2-phenylethyl)silane;dihydrochloride (PubChem CID 172678785) has the molecular formula C9H16Cl2Si and a molecular weight of 223.22 g/mol. Its IUPAC name is methyl(2-phenylethyl)silane;dihydrochloride.

Molecular Properties

Compound Namemethyl(2-phenylethyl)silane;dihydrochloride
PubChem CID172678785
Molecular FormulaC9H16Cl2Si
Molecular Weight223.22 g/mol
Exact Mass222.04
IUPAC Namemethyl(2-phenylethyl)silane;dihydrochloride
SMILESC[SiH2]CCc1ccccc1.Cl.Cl
InChIInChI=1S/C9H14Si.2ClH/c1-10-8-7-9-5-3-2-4-6-9;;/h2-6H,7-8,10H2,1H3;2*1H
InChIKeyACHZDNFWEKJQNN-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(2-phenylethyl)silane;dihydrochloride?
The IUPAC name of methyl(2-phenylethyl)silane;dihydrochloride (CID 172678785) is methyl(2-phenylethyl)silane;dihydrochloride.
What is the SMILES notation for methyl(2-phenylethyl)silane;dihydrochloride?
The canonical SMILES for methyl(2-phenylethyl)silane;dihydrochloride is C[SiH2]CCc1ccccc1.Cl.Cl.
What is the InChIKey of methyl(2-phenylethyl)silane;dihydrochloride?
The InChIKey is ACHZDNFWEKJQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Si.2ClH/c1-10-8-7-9-5-3-2-4-6-9;;/h2-6H,7-8,10H2,1H3;2*1H.
What are the key properties of methyl(2-phenylethyl)silane;dihydrochloride?
methyl(2-phenylethyl)silane;dihydrochloride has a molecular weight of 223.22 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-phenylethyl)silane;dihydrochloride is sourced from PubChem (CID 172678785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).