3-phenylpropylsilane;dihydrochloride

C9H16Cl2Si — CID 173248644

IUPAC3-phenylpropylsilane;dihydrochloride
SMILESCl.Cl.[SiH3]CCCc1ccccc1
InChIInChI=1S/C9H14Si.2ClH/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8H2,10H3;2*1H
InChIKeyXLNBJNYRQXOJMU-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.25
Rot. Bonds3

About 3-phenylpropylsilane;dihydrochloride

3-phenylpropylsilane;dihydrochloride (PubChem CID 173248644) has the molecular formula C9H16Cl2Si and a molecular weight of 223.22 g/mol. Its IUPAC name is 3-phenylpropylsilane;dihydrochloride.

Molecular Properties

Compound Name3-phenylpropylsilane;dihydrochloride
PubChem CID173248644
Molecular FormulaC9H16Cl2Si
Molecular Weight223.22 g/mol
Exact Mass222.04
IUPAC Name3-phenylpropylsilane;dihydrochloride
SMILESCl.Cl.[SiH3]CCCc1ccccc1
InChIInChI=1S/C9H14Si.2ClH/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8H2,10H3;2*1H
InChIKeyXLNBJNYRQXOJMU-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-phenylbutylbenzene
CID 141301927
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
benzene;2-phenylethylbenzene
CID 18982764
butylbenzene
CID 91440396
4-phenylbutan-1-amine;hydrochloride
CID 44630065
benzylsilane;hydron
CID 175019637
pentylbenzene
CID 91255123
2-phenylethyl(tritritio)silane
CID 177095311
benzene;3-phenylpropan-1-amine
CID 174865683

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropylsilane;dihydrochloride?
The IUPAC name of 3-phenylpropylsilane;dihydrochloride (CID 173248644) is 3-phenylpropylsilane;dihydrochloride.
What is the SMILES notation for 3-phenylpropylsilane;dihydrochloride?
The canonical SMILES for 3-phenylpropylsilane;dihydrochloride is Cl.Cl.[SiH3]CCCc1ccccc1.
What is the InChIKey of 3-phenylpropylsilane;dihydrochloride?
The InChIKey is XLNBJNYRQXOJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Si.2ClH/c10-8-4-7-9-5-2-1-3-6-9;;/h1-3,5-6H,4,7-8H2,10H3;2*1H.
What are the key properties of 3-phenylpropylsilane;dihydrochloride?
3-phenylpropylsilane;dihydrochloride has a molecular weight of 223.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropylsilane;dihydrochloride is sourced from PubChem (CID 173248644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).