CID 140918990

C19H24N4O4Si — CID 140918990

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cnn(CCON2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H24N4O4Si/c1-18(2,3)28-27-19(4,5)15-12-20-22(21-15)10-11-26-23-16(24)13-8-6-7-9-14(13)17(23)25/h6-9,12H,10-11H2,1-5H3
InChIKeyLWMWRNNJAUYLAK-UHFFFAOYSA-N
MW400.51 g/mol
LogP2.60
Rot. Bonds7

About CID 140918990

CID 140918990 (PubChem CID 140918990) has the molecular formula C19H24N4O4Si and a molecular weight of 400.51 g/mol.

Molecular Properties

Compound NameCID 140918990
PubChem CID140918990
Molecular FormulaC19H24N4O4Si
Molecular Weight400.51 g/mol
Exact Mass400.16
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cnn(CCON2C(=O)c3ccccc3C2=O)n1
InChIInChI=1S/C19H24N4O4Si/c1-18(2,3)28-27-19(4,5)15-12-20-22(21-15)10-11-26-23-16(24)13-8-6-7-9-14(13)17(23)25/h6-9,12H,10-11H2,1-5H3
InChIKeyLWMWRNNJAUYLAK-UHFFFAOYSA-N
XLogP2.60
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 140918990?
The IUPAC name of CID 140918990 (CID 140918990) is not available.
What is the SMILES notation for CID 140918990?
The canonical SMILES for CID 140918990 is CC(C)(C)[Si]OC(C)(C)c1cnn(CCON2C(=O)c3ccccc3C2=O)n1.
What is the InChIKey of CID 140918990?
The InChIKey is LWMWRNNJAUYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4Si/c1-18(2,3)28-27-19(4,5)15-12-20-22(21-15)10-11-26-23-16(24)13-8-6-7-9-14(13)17(23)25/h6-9,12H,10-11H2,1-5H3.
What are the key properties of CID 140918990?
CID 140918990 has a molecular weight of 400.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140918990 is sourced from PubChem (CID 140918990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).