trichloro-[1-(2-methylprop-2-enoxy)propyl]silane

C7H13Cl3OSi — CID 22561412

IUPACtrichloro-[1-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COC(CC)[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-4-7(12(8,9)10)11-5-6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyRMMYGMWDIFQLIX-UHFFFAOYSA-N
MW247.62 g/mol
LogP3.55
Rot. Bonds5

About trichloro-[1-(2-methylprop-2-enoxy)propyl]silane

trichloro-[1-(2-methylprop-2-enoxy)propyl]silane (PubChem CID 22561412) has the molecular formula C7H13Cl3OSi and a molecular weight of 247.62 g/mol. Its IUPAC name is trichloro-[1-(2-methylprop-2-enoxy)propyl]silane.

Molecular Properties

Compound Nametrichloro-[1-(2-methylprop-2-enoxy)propyl]silane
PubChem CID22561412
Molecular FormulaC7H13Cl3OSi
Molecular Weight247.62 g/mol
Exact Mass245.98
IUPAC Nametrichloro-[1-(2-methylprop-2-enoxy)propyl]silane
SMILESC=C(C)COC(CC)[Si](Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3OSi/c1-4-7(12(8,9)10)11-5-6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyRMMYGMWDIFQLIX-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.62
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 trichloro-[1-(2-methylprop-2-enoxy)propyl]silane?
The IUPAC name of trichloro-[1-(2-methylprop-2-enoxy)propyl]silane (CID 22561412) is trichloro-[1-(2-methylprop-2-enoxy)propyl]silane.
What is the SMILES notation for trichloro-[1-(2-methylprop-2-enoxy)propyl]silane?
The canonical SMILES for trichloro-[1-(2-methylprop-2-enoxy)propyl]silane is C=C(C)COC(CC)[Si](Cl)(Cl)Cl.
What is the InChIKey of trichloro-[1-(2-methylprop-2-enoxy)propyl]silane?
The InChIKey is RMMYGMWDIFQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3OSi/c1-4-7(12(8,9)10)11-5-6(2)3/h7H,2,4-5H2,1,3H3.
What are the key properties of trichloro-[1-(2-methylprop-2-enoxy)propyl]silane?
trichloro-[1-(2-methylprop-2-enoxy)propyl]silane has a molecular weight of 247.62 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[1-(2-methylprop-2-enoxy)propyl]silane is sourced from PubChem (CID 22561412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).