CID 67796252

C18H27NO5Si2 — CID 67796252

IUPAC—
SMILESCCOC(=O)C1C(c2cccnc2)OCC1C(C)(C)C(O[Si]C)O[Si]C
InChIInChI=1S/C18H27NO5Si2/c1-6-21-16(20)14-13(18(2,3)17(23-25-4)24-26-5)11-22-15(14)12-8-7-9-19-10-12/h7-10,13-15,17H,6,11H2,1-5H3
InChIKeyLIXBEYYIBQEXPU-UHFFFAOYSA-N
MW393.59 g/mol
LogP2.67
Rot. Bonds9

About CID 67796252

CID 67796252 (PubChem CID 67796252) has the molecular formula C18H27NO5Si2 and a molecular weight of 393.59 g/mol.

Molecular Properties

Compound NameCID 67796252
PubChem CID67796252
Molecular FormulaC18H27NO5Si2
Molecular Weight393.59 g/mol
Exact Mass393.14
IUPAC Name—
SMILESCCOC(=O)C1C(c2cccnc2)OCC1C(C)(C)C(O[Si]C)O[Si]C
InChIInChI=1S/C18H27NO5Si2/c1-6-21-16(20)14-13(18(2,3)17(23-25-4)24-26-5)11-22-15(14)12-8-7-9-19-10-12/h7-10,13-15,17H,6,11H2,1-5H3
InChIKeyLIXBEYYIBQEXPU-UHFFFAOYSA-N
XLogP2.67
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.59
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 67796252?
The IUPAC name of CID 67796252 (CID 67796252) is not available.
What is the SMILES notation for CID 67796252?
The canonical SMILES for CID 67796252 is CCOC(=O)C1C(c2cccnc2)OCC1C(C)(C)C(O[Si]C)O[Si]C.
What is the InChIKey of CID 67796252?
The InChIKey is LIXBEYYIBQEXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5Si2/c1-6-21-16(20)14-13(18(2,3)17(23-25-4)24-26-5)11-22-15(14)12-8-7-9-19-10-12/h7-10,13-15,17H,6,11H2,1-5H3.
What are the key properties of CID 67796252?
CID 67796252 has a molecular weight of 393.59 g/mol, XLogP of 2.67, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67796252 is sourced from PubChem (CID 67796252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).