CID 66941347

C26H42NOSi — CID 66941347

IUPAC—
SMILESCCCN(CCC)CCCc1ccc2cc(C(C)(C)C)ccc2c1CO[Si](C)C
InChIInChI=1S/C26H42NOSi/c1-8-16-27(17-9-2)18-10-11-21-12-13-22-19-23(26(3,4)5)14-15-24(22)25(21)20-28-29(6)7/h12-15,19H,8-11,16-18,20H2,1-7H3
InChIKeyCPYVZVWJLVCDMU-UHFFFAOYSA-N
MW412.71 g/mol
LogP6.96
Rot. Bonds11

About CID 66941347

CID 66941347 (PubChem CID 66941347) has the molecular formula C26H42NOSi and a molecular weight of 412.71 g/mol.

Molecular Properties

Compound NameCID 66941347
PubChem CID66941347
Molecular FormulaC26H42NOSi
Molecular Weight412.71 g/mol
Exact Mass412.30
IUPAC Name—
SMILESCCCN(CCC)CCCc1ccc2cc(C(C)(C)C)ccc2c1CO[Si](C)C
InChIInChI=1S/C26H42NOSi/c1-8-16-27(17-9-2)18-10-11-21-12-13-22-19-23(26(3,4)5)14-15-24(22)25(21)20-28-29(6)7/h12-15,19H,8-11,16-18,20H2,1-7H3
InChIKeyCPYVZVWJLVCDMU-UHFFFAOYSA-N
XLogP6.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 66941347?
The IUPAC name of CID 66941347 (CID 66941347) is not available.
What is the SMILES notation for CID 66941347?
The canonical SMILES for CID 66941347 is CCCN(CCC)CCCc1ccc2cc(C(C)(C)C)ccc2c1CO[Si](C)C.
What is the InChIKey of CID 66941347?
The InChIKey is CPYVZVWJLVCDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42NOSi/c1-8-16-27(17-9-2)18-10-11-21-12-13-22-19-23(26(3,4)5)14-15-24(22)25(21)20-28-29(6)7/h12-15,19H,8-11,16-18,20H2,1-7H3.
What are the key properties of CID 66941347?
CID 66941347 has a molecular weight of 412.71 g/mol, XLogP of 6.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66941347 is sourced from PubChem (CID 66941347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).