CID 70121426

C15H13O2Si — CID 70121426

IUPAC—
SMILESOc1cccc2c1-c1ccccc1C2CCO[Si]
InChIInChI=1S/C15H13O2Si/c16-14-7-3-6-13-11(8-9-17-18)10-4-1-2-5-12(10)15(13)14/h1-7,11,16H,8-9H2
InChIKeyIZEZLDPLAOQIRU-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.99
Rot. Bonds3

About CID 70121426

CID 70121426 (PubChem CID 70121426) has the molecular formula C15H13O2Si and a molecular weight of 253.35 g/mol.

Molecular Properties

Compound NameCID 70121426
PubChem CID70121426
Molecular FormulaC15H13O2Si
Molecular Weight253.35 g/mol
Exact Mass253.07
IUPAC Name—
SMILESOc1cccc2c1-c1ccccc1C2CCO[Si]
InChIInChI=1S/C15H13O2Si/c16-14-7-3-6-13-11(8-9-17-18)10-4-1-2-5-12(10)15(13)14/h1-7,11,16H,8-9H2
InChIKeyIZEZLDPLAOQIRU-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 CID 70121426?
The IUPAC name of CID 70121426 (CID 70121426) is not available.
What is the SMILES notation for CID 70121426?
The canonical SMILES for CID 70121426 is Oc1cccc2c1-c1ccccc1C2CCO[Si].
What is the InChIKey of CID 70121426?
The InChIKey is IZEZLDPLAOQIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13O2Si/c16-14-7-3-6-13-11(8-9-17-18)10-4-1-2-5-12(10)15(13)14/h1-7,11,16H,8-9H2.
What are the key properties of CID 70121426?
CID 70121426 has a molecular weight of 253.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70121426 is sourced from PubChem (CID 70121426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).