CID 140892761

C17H14O2Si — CID 140892761

IUPAC—
SMILESc1ccc(O[Si]OCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14O2Si/c1-2-10-16(11-3-1)19-20-18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyOMVLAWQCPSAZAA-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.97
Rot. Bonds5

About CID 140892761

CID 140892761 (PubChem CID 140892761) has the molecular formula C17H14O2Si and a molecular weight of 278.38 g/mol.

Molecular Properties

Compound NameCID 140892761
PubChem CID140892761
Molecular FormulaC17H14O2Si
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Name—
SMILESc1ccc(O[Si]OCc2cccc3ccccc23)cc1
InChIInChI=1S/C17H14O2Si/c1-2-10-16(11-3-1)19-20-18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2
InChIKeyOMVLAWQCPSAZAA-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 140892761?
The IUPAC name of CID 140892761 (CID 140892761) is not available.
What is the SMILES notation for CID 140892761?
The canonical SMILES for CID 140892761 is c1ccc(O[Si]OCc2cccc3ccccc23)cc1.
What is the InChIKey of CID 140892761?
The InChIKey is OMVLAWQCPSAZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2Si/c1-2-10-16(11-3-1)19-20-18-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-12H,13H2.
What are the key properties of CID 140892761?
CID 140892761 has a molecular weight of 278.38 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140892761 is sourced from PubChem (CID 140892761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).