CID 22212176

C18H16OSi — CID 22212176

IUPAC—
SMILESC#C/C=C/CO[Si]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16OSi/c1-2-3-10-15-19-20-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,3-14,18H,15H2/b10-3+
InChIKeySDJCPXLRUNXGCX-XCVCLJGOSA-N
MW276.41 g/mol
LogP3.60
Rot. Bonds6

About CID 22212176

CID 22212176 (PubChem CID 22212176) has the molecular formula C18H16OSi and a molecular weight of 276.41 g/mol.

Molecular Properties

Compound NameCID 22212176
PubChem CID22212176
Molecular FormulaC18H16OSi
Molecular Weight276.41 g/mol
Exact Mass276.10
IUPAC Name—
SMILESC#C/C=C/CO[Si]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16OSi/c1-2-3-10-15-19-20-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,3-14,18H,15H2/b10-3+
InChIKeySDJCPXLRUNXGCX-XCVCLJGOSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 22212176 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 22212176?
The IUPAC name of CID 22212176 (CID 22212176) is not available.
What is the SMILES notation for CID 22212176?
The canonical SMILES for CID 22212176 is C#C/C=C/CO[Si]C(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 22212176?
The InChIKey is SDJCPXLRUNXGCX-XCVCLJGOSA-N. The full InChI is InChI=1S/C18H16OSi/c1-2-3-10-15-19-20-18(16-11-6-4-7-12-16)17-13-8-5-9-14-17/h1,3-14,18H,15H2/b10-3+.
What are the key properties of CID 22212176?
CID 22212176 has a molecular weight of 276.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22212176 is sourced from PubChem (CID 22212176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).