CID 21264755

C16H14O4Si — CID 21264755

IUPAC—
SMILESCc1cc(C(=O)O)c([Si]c2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C16H14O4Si/c1-9-8-12(15(17)18)14(10(2)13(9)16(19)20)21-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXLESXGJSKIFZFQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.35
Rot. Bonds4

About CID 21264755

CID 21264755 (PubChem CID 21264755) has the molecular formula C16H14O4Si and a molecular weight of 298.37 g/mol.

Molecular Properties

Compound NameCID 21264755
PubChem CID21264755
Molecular FormulaC16H14O4Si
Molecular Weight298.37 g/mol
Exact Mass298.07
IUPAC Name—
SMILESCc1cc(C(=O)O)c([Si]c2ccccc2)c(C)c1C(=O)O
InChIInChI=1S/C16H14O4Si/c1-9-8-12(15(17)18)14(10(2)13(9)16(19)20)21-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyXLESXGJSKIFZFQ-UHFFFAOYSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
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 21264755?
The IUPAC name of CID 21264755 (CID 21264755) is not available.
What is the SMILES notation for CID 21264755?
The canonical SMILES for CID 21264755 is Cc1cc(C(=O)O)c([Si]c2ccccc2)c(C)c1C(=O)O.
What is the InChIKey of CID 21264755?
The InChIKey is XLESXGJSKIFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4Si/c1-9-8-12(15(17)18)14(10(2)13(9)16(19)20)21-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of CID 21264755?
CID 21264755 has a molecular weight of 298.37 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21264755 is sourced from PubChem (CID 21264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).