CID 136783338

C15H17ClO3Si2 — CID 136783338

IUPAC—
SMILESO[Si](CCc1ccc(CCl)cc1)O[Si](O)c1ccccc1
InChIInChI=1S/C15H17ClO3Si2/c16-12-14-8-6-13(7-9-14)10-11-20(17)19-21(18)15-4-2-1-3-5-15/h1-9,17-18H,10-12H2
InChIKeyIHAPKKMJFNMAKD-UHFFFAOYSA-N
MW336.92 g/mol
LogP1.85
Rot. Bonds7

About CID 136783338

CID 136783338 (PubChem CID 136783338) has the molecular formula C15H17ClO3Si2 and a molecular weight of 336.92 g/mol.

Molecular Properties

Compound NameCID 136783338
PubChem CID136783338
Molecular FormulaC15H17ClO3Si2
Molecular Weight336.92 g/mol
Exact Mass336.04
IUPAC Name—
SMILESO[Si](CCc1ccc(CCl)cc1)O[Si](O)c1ccccc1
InChIInChI=1S/C15H17ClO3Si2/c16-12-14-8-6-13(7-9-14)10-11-20(17)19-21(18)15-4-2-1-3-5-15/h1-9,17-18H,10-12H2
InChIKeyIHAPKKMJFNMAKD-UHFFFAOYSA-N
XLogP1.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.92
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136783338?
The IUPAC name of CID 136783338 (CID 136783338) is not available.
What is the SMILES notation for CID 136783338?
The canonical SMILES for CID 136783338 is O[Si](CCc1ccc(CCl)cc1)O[Si](O)c1ccccc1.
What is the InChIKey of CID 136783338?
The InChIKey is IHAPKKMJFNMAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClO3Si2/c16-12-14-8-6-13(7-9-14)10-11-20(17)19-21(18)15-4-2-1-3-5-15/h1-9,17-18H,10-12H2.
What are the key properties of CID 136783338?
CID 136783338 has a molecular weight of 336.92 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136783338 is sourced from PubChem (CID 136783338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).