CID 123150351

C16H19O3Si — CID 123150351

IUPAC—
SMILESCOc1cc([Si](C)C)cc(OCc2ccccc2)c1O
InChIInChI=1S/C16H19O3Si/c1-18-14-9-13(20(2)3)10-15(16(14)17)19-11-12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3
InChIKeyYEABCDPLBDIADK-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds5

About CID 123150351

CID 123150351 (PubChem CID 123150351) has the molecular formula C16H19O3Si and a molecular weight of 287.41 g/mol.

Molecular Properties

Compound NameCID 123150351
PubChem CID123150351
Molecular FormulaC16H19O3Si
Molecular Weight287.41 g/mol
Exact Mass287.11
IUPAC Name—
SMILESCOc1cc([Si](C)C)cc(OCc2ccccc2)c1O
InChIInChI=1S/C16H19O3Si/c1-18-14-9-13(20(2)3)10-15(16(14)17)19-11-12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3
InChIKeyYEABCDPLBDIADK-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 CID 123150351?
The IUPAC name of CID 123150351 (CID 123150351) is not available.
What is the SMILES notation for CID 123150351?
The canonical SMILES for CID 123150351 is COc1cc([Si](C)C)cc(OCc2ccccc2)c1O.
What is the InChIKey of CID 123150351?
The InChIKey is YEABCDPLBDIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O3Si/c1-18-14-9-13(20(2)3)10-15(16(14)17)19-11-12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3.
What are the key properties of CID 123150351?
CID 123150351 has a molecular weight of 287.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123150351 is sourced from PubChem (CID 123150351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).