CID 163216158

C18H19O4Si — CID 163216158

IUPAC—
SMILESCCO[Si](OC)c1cccc(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19O4Si/c1-3-22-23(21-2)16-11-7-10-15(12-16)18(20)13-17(19)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyZXMIVFWHNWZTFM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.52
Rot. Bonds8

About CID 163216158

CID 163216158 (PubChem CID 163216158) has the molecular formula C18H19O4Si and a molecular weight of 327.43 g/mol.

Molecular Properties

Compound NameCID 163216158
PubChem CID163216158
Molecular FormulaC18H19O4Si
Molecular Weight327.43 g/mol
Exact Mass327.11
IUPAC Name—
SMILESCCO[Si](OC)c1cccc(C(=O)CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H19O4Si/c1-3-22-23(21-2)16-11-7-10-15(12-16)18(20)13-17(19)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3
InChIKeyZXMIVFWHNWZTFM-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163216158?
The IUPAC name of CID 163216158 (CID 163216158) is not available.
What is the SMILES notation for CID 163216158?
The canonical SMILES for CID 163216158 is CCO[Si](OC)c1cccc(C(=O)CC(=O)c2ccccc2)c1.
What is the InChIKey of CID 163216158?
The InChIKey is ZXMIVFWHNWZTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19O4Si/c1-3-22-23(21-2)16-11-7-10-15(12-16)18(20)13-17(19)14-8-5-4-6-9-14/h4-12H,3,13H2,1-2H3.
What are the key properties of CID 163216158?
CID 163216158 has a molecular weight of 327.43 g/mol, XLogP of 2.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163216158 is sourced from PubChem (CID 163216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).