CID 67645513

C19H31N2O3Si2 — CID 67645513

IUPAC—
SMILESC[Si](C)OC(CC(C)(C)C)c1c([Si](C)(C)C)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H31N2O3Si2/c1-19(2,3)12-16(24-25(4)5)17-14-11-13(21(22)23)9-10-15(14)20-18(17)26(6,7)8/h9-11,16,20H,12H2,1-8H3
InChIKeyOFCZFWCXNJNHRR-UHFFFAOYSA-N
MW391.64 g/mol
LogP5.37
Rot. Bonds6

About CID 67645513

CID 67645513 (PubChem CID 67645513) has the molecular formula C19H31N2O3Si2 and a molecular weight of 391.64 g/mol.

Molecular Properties

Compound NameCID 67645513
PubChem CID67645513
Molecular FormulaC19H31N2O3Si2
Molecular Weight391.64 g/mol
Exact Mass391.19
IUPAC Name—
SMILESC[Si](C)OC(CC(C)(C)C)c1c([Si](C)(C)C)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C19H31N2O3Si2/c1-19(2,3)12-16(24-25(4)5)17-14-11-13(21(22)23)9-10-15(14)20-18(17)26(6,7)8/h9-11,16,20H,12H2,1-8H3
InChIKeyOFCZFWCXNJNHRR-UHFFFAOYSA-N
XLogP5.37
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 67645513 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 67645513?
The IUPAC name of CID 67645513 (CID 67645513) is not available.
What is the SMILES notation for CID 67645513?
The canonical SMILES for CID 67645513 is C[Si](C)OC(CC(C)(C)C)c1c([Si](C)(C)C)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of CID 67645513?
The InChIKey is OFCZFWCXNJNHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N2O3Si2/c1-19(2,3)12-16(24-25(4)5)17-14-11-13(21(22)23)9-10-15(14)20-18(17)26(6,7)8/h9-11,16,20H,12H2,1-8H3.
What are the key properties of CID 67645513?
CID 67645513 has a molecular weight of 391.64 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67645513 is sourced from PubChem (CID 67645513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).