CID 67820527

C25H38NOSi — CID 67820527

IUPAC—
SMILESCCCCCCCC(C)(C)C(O[Si])(c1cc2ccccc2nc1C)C(C)(C)C
InChIInChI=1S/C25H38NOSi/c1-8-9-10-11-14-17-24(6,7)25(27-28,23(3,4)5)21-18-20-15-12-13-16-22(20)26-19(21)2/h12-13,15-16,18H,8-11,14,17H2,1-7H3
InChIKeyCIMCSSLQEYZQJW-UHFFFAOYSA-N
MW396.67 g/mol
LogP7.27
Rot. Bonds9

About CID 67820527

CID 67820527 (PubChem CID 67820527) has the molecular formula C25H38NOSi and a molecular weight of 396.67 g/mol.

Molecular Properties

Compound NameCID 67820527
PubChem CID67820527
Molecular FormulaC25H38NOSi
Molecular Weight396.67 g/mol
Exact Mass396.27
IUPAC Name—
SMILESCCCCCCCC(C)(C)C(O[Si])(c1cc2ccccc2nc1C)C(C)(C)C
InChIInChI=1S/C25H38NOSi/c1-8-9-10-11-14-17-24(6,7)25(27-28,23(3,4)5)21-18-20-15-12-13-16-22(20)26-19(21)2/h12-13,15-16,18H,8-11,14,17H2,1-7H3
InChIKeyCIMCSSLQEYZQJW-UHFFFAOYSA-N
XLogP7.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.67
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 67820527?
The IUPAC name of CID 67820527 (CID 67820527) is not available.
What is the SMILES notation for CID 67820527?
The canonical SMILES for CID 67820527 is CCCCCCCC(C)(C)C(O[Si])(c1cc2ccccc2nc1C)C(C)(C)C.
What is the InChIKey of CID 67820527?
The InChIKey is CIMCSSLQEYZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38NOSi/c1-8-9-10-11-14-17-24(6,7)25(27-28,23(3,4)5)21-18-20-15-12-13-16-22(20)26-19(21)2/h12-13,15-16,18H,8-11,14,17H2,1-7H3.
What are the key properties of CID 67820527?
CID 67820527 has a molecular weight of 396.67 g/mol, XLogP of 7.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67820527 is sourced from PubChem (CID 67820527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).