CID 22412651

C28H45N3O3Si — CID 22412651

IUPAC—
SMILESCCCCOCCCCOc1cnc(-c2cccnc2O[Si]CCCCC(C)(C)CCCC)cn1
InChIInChI=1S/C28H45N3O3Si/c1-5-7-15-28(3,4)16-9-12-21-35-34-27-24(14-13-17-29-27)25-22-31-26(23-30-25)33-20-11-10-19-32-18-8-6-2/h13-14,17,22-23H,5-12,15-16,18-21H2,1-4H3
InChIKeyMYXPDUUPDYEQAJ-UHFFFAOYSA-N
MW499.77 g/mol
LogP7.32
Rot. Bonds20

About CID 22412651

CID 22412651 (PubChem CID 22412651) has the molecular formula C28H45N3O3Si and a molecular weight of 499.77 g/mol.

Molecular Properties

Compound NameCID 22412651
PubChem CID22412651
Molecular FormulaC28H45N3O3Si
Molecular Weight499.77 g/mol
Exact Mass499.32
IUPAC Name—
SMILESCCCCOCCCCOc1cnc(-c2cccnc2O[Si]CCCCC(C)(C)CCCC)cn1
InChIInChI=1S/C28H45N3O3Si/c1-5-7-15-28(3,4)16-9-12-21-35-34-27-24(14-13-17-29-27)25-22-31-26(23-30-25)33-20-11-10-19-32-18-8-6-2/h13-14,17,22-23H,5-12,15-16,18-21H2,1-4H3
InChIKeyMYXPDUUPDYEQAJ-UHFFFAOYSA-N
XLogP7.32
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.77
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 22412651?
The IUPAC name of CID 22412651 (CID 22412651) is not available.
What is the SMILES notation for CID 22412651?
The canonical SMILES for CID 22412651 is CCCCOCCCCOc1cnc(-c2cccnc2O[Si]CCCCC(C)(C)CCCC)cn1.
What is the InChIKey of CID 22412651?
The InChIKey is MYXPDUUPDYEQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45N3O3Si/c1-5-7-15-28(3,4)16-9-12-21-35-34-27-24(14-13-17-29-27)25-22-31-26(23-30-25)33-20-11-10-19-32-18-8-6-2/h13-14,17,22-23H,5-12,15-16,18-21H2,1-4H3.
What are the key properties of CID 22412651?
CID 22412651 has a molecular weight of 499.77 g/mol, XLogP of 7.32, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22412651 is sourced from PubChem (CID 22412651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).