trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane

C10H13Cl3OSi — CID 71403071

IUPACtrichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
SMILESCC(C)(C)Oc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl3OSi/c1-10(2,3)14-8-4-6-9(7-5-8)15(11,12)13/h4-7H,1-3H3
InChIKeyPMFJZWHOTZCQLE-UHFFFAOYSA-N
MW283.66 g/mol
LogP3.73
Rot. Bonds2

About trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane

trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane (PubChem CID 71403071) has the molecular formula C10H13Cl3OSi and a molecular weight of 283.66 g/mol. Its IUPAC name is trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane.

Molecular Properties

Compound Nametrichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
PubChem CID71403071
Molecular FormulaC10H13Cl3OSi
Molecular Weight283.66 g/mol
Exact Mass281.98
IUPAC Nametrichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
SMILESCC(C)(C)Oc1ccc([Si](Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H13Cl3OSi/c1-10(2,3)14-8-4-6-9(7-5-8)15(11,12)13/h4-7H,1-3H3
InChIKeyPMFJZWHOTZCQLE-UHFFFAOYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane?
The IUPAC name of trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane (CID 71403071) is trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane.
What is the SMILES notation for trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane?
The canonical SMILES for trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane is CC(C)(C)Oc1ccc([Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane?
The InChIKey is PMFJZWHOTZCQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3OSi/c1-10(2,3)14-8-4-6-9(7-5-8)15(11,12)13/h4-7H,1-3H3.
What are the key properties of trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane?
trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane has a molecular weight of 283.66 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane is sourced from PubChem (CID 71403071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).