(3-chlorophenyl)-tris(trimethylsilyloxy)silane

C15H31ClO3Si4 — CID 139696878

IUPAC(3-chlorophenyl)-tris(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H31ClO3Si4/c1-20(2,3)17-23(18-21(4,5)6,19-22(7,8)9)15-12-10-11-14(16)13-15/h10-13H,1-9H3
InChIKeyPGAREXXDAOMDCH-UHFFFAOYSA-N
MW407.21 g/mol
LogP5.04
Rot. Bonds7

About (3-chlorophenyl)-tris(trimethylsilyloxy)silane

(3-chlorophenyl)-tris(trimethylsilyloxy)silane (PubChem CID 139696878) has the molecular formula C15H31ClO3Si4 and a molecular weight of 407.21 g/mol. Its IUPAC name is (3-chlorophenyl)-tris(trimethylsilyloxy)silane.

Molecular Properties

Compound Name(3-chlorophenyl)-tris(trimethylsilyloxy)silane
PubChem CID139696878
Molecular FormulaC15H31ClO3Si4
Molecular Weight407.21 g/mol
Exact Mass406.10
IUPAC Name(3-chlorophenyl)-tris(trimethylsilyloxy)silane
SMILESC[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H31ClO3Si4/c1-20(2,3)17-23(18-21(4,5)6,19-22(7,8)9)15-12-10-11-14(16)13-15/h10-13H,1-9H3
InChIKeyPGAREXXDAOMDCH-UHFFFAOYSA-N
XLogP5.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.21
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3-chlorophenyl)-tris(trimethylsilyloxy)silane?
The IUPAC name of (3-chlorophenyl)-tris(trimethylsilyloxy)silane (CID 139696878) is (3-chlorophenyl)-tris(trimethylsilyloxy)silane.
What is the SMILES notation for (3-chlorophenyl)-tris(trimethylsilyloxy)silane?
The canonical SMILES for (3-chlorophenyl)-tris(trimethylsilyloxy)silane is C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-tris(trimethylsilyloxy)silane?
The InChIKey is PGAREXXDAOMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO3Si4/c1-20(2,3)17-23(18-21(4,5)6,19-22(7,8)9)15-12-10-11-14(16)13-15/h10-13H,1-9H3.
What are the key properties of (3-chlorophenyl)-tris(trimethylsilyloxy)silane?
(3-chlorophenyl)-tris(trimethylsilyloxy)silane has a molecular weight of 407.21 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-tris(trimethylsilyloxy)silane is sourced from PubChem (CID 139696878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).