CID 175223231

C13H17O2Si — CID 175223231

IUPAC—
SMILESCC#Cc1ccccc1[Si](OCC)OCC
InChIInChI=1S/C13H17O2Si/c1-4-9-12-10-7-8-11-13(12)16(14-5-2)15-6-3/h7-8,10-11H,5-6H2,1-3H3
InChIKeyHYVPKYQOHCQARX-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.83
Rot. Bonds5

About CID 175223231

CID 175223231 (PubChem CID 175223231) has the molecular formula C13H17O2Si and a molecular weight of 233.36 g/mol.

Molecular Properties

Compound NameCID 175223231
PubChem CID175223231
Molecular FormulaC13H17O2Si
Molecular Weight233.36 g/mol
Exact Mass233.10
IUPAC Name—
SMILESCC#Cc1ccccc1[Si](OCC)OCC
InChIInChI=1S/C13H17O2Si/c1-4-9-12-10-7-8-11-13(12)16(14-5-2)15-6-3/h7-8,10-11H,5-6H2,1-3H3
InChIKeyHYVPKYQOHCQARX-UHFFFAOYSA-N
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175223231?
The IUPAC name of CID 175223231 (CID 175223231) is not available.
What is the SMILES notation for CID 175223231?
The canonical SMILES for CID 175223231 is CC#Cc1ccccc1[Si](OCC)OCC.
What is the InChIKey of CID 175223231?
The InChIKey is HYVPKYQOHCQARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O2Si/c1-4-9-12-10-7-8-11-13(12)16(14-5-2)15-6-3/h7-8,10-11H,5-6H2,1-3H3.
What are the key properties of CID 175223231?
CID 175223231 has a molecular weight of 233.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175223231 is sourced from PubChem (CID 175223231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).