CID 22215457

C18H21OSi — CID 22215457

IUPAC—
SMILESC=CC(CCC)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OSi/c1-3-11-16(4-2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-16H,2-3,11H2,1H3
InChIKeyZSNUVXBOOJCEDE-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.16
Rot. Bonds7

About CID 22215457

CID 22215457 (PubChem CID 22215457) has the molecular formula C18H21OSi and a molecular weight of 281.45 g/mol.

Molecular Properties

Compound NameCID 22215457
PubChem CID22215457
Molecular FormulaC18H21OSi
Molecular Weight281.45 g/mol
Exact Mass281.14
IUPAC Name—
SMILESC=CC(CCC)O[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21OSi/c1-3-11-16(4-2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-16H,2-3,11H2,1H3
InChIKeyZSNUVXBOOJCEDE-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 22215457?
The IUPAC name of CID 22215457 (CID 22215457) is not available.
What is the SMILES notation for CID 22215457?
The canonical SMILES for CID 22215457 is C=CC(CCC)O[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22215457?
The InChIKey is ZSNUVXBOOJCEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OSi/c1-3-11-16(4-2)19-20(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-16H,2-3,11H2,1H3.
What are the key properties of CID 22215457?
CID 22215457 has a molecular weight of 281.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22215457 is sourced from PubChem (CID 22215457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).