dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane

C13H18Cl2OSi — CID 67913450

IUPACdichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane
SMILESC=C(C)COCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H18Cl2OSi/c1-12(2)11-16-9-6-10-17(14,15)13-7-4-3-5-8-13/h3-5,7-8H,1,6,9-11H2,2H3
InChIKeyYICNPSMPSCIZIM-UHFFFAOYSA-N
MW289.28 g/mol
LogP3.80
Rot. Bonds7

About dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane

dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane (PubChem CID 67913450) has the molecular formula C13H18Cl2OSi and a molecular weight of 289.28 g/mol. Its IUPAC name is dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane.

Molecular Properties

Compound Namedichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane
PubChem CID67913450
Molecular FormulaC13H18Cl2OSi
Molecular Weight289.28 g/mol
Exact Mass288.05
IUPAC Namedichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane
SMILESC=C(C)COCCC[Si](Cl)(Cl)c1ccccc1
InChIInChI=1S/C13H18Cl2OSi/c1-12(2)11-16-9-6-10-17(14,15)13-7-4-3-5-8-13/h3-5,7-8H,1,6,9-11H2,2H3
InChIKeyYICNPSMPSCIZIM-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane?
The IUPAC name of dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane (CID 67913450) is dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane.
What is the SMILES notation for dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane?
The canonical SMILES for dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane is C=C(C)COCCC[Si](Cl)(Cl)c1ccccc1.
What is the InChIKey of dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane?
The InChIKey is YICNPSMPSCIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2OSi/c1-12(2)11-16-9-6-10-17(14,15)13-7-4-3-5-8-13/h3-5,7-8H,1,6,9-11H2,2H3.
What are the key properties of dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane?
dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane has a molecular weight of 289.28 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[3-(2-methylprop-2-enoxy)propyl]-phenylsilane is sourced from PubChem (CID 67913450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).