CID 88695283

C28H48NO4Si2 — CID 88695283

IUPAC—
SMILESCCCCC(C[C@@H]1/C(=C(/C)COCc2ccc(OC)cc2)C(=O)N1[Si](C)(C)C(C)(C)C)O[Si](C)C
InChIInChI=1S/C28H48NO4Si2/c1-11-12-13-24(33-34(7)8)18-25-26(27(30)29(25)35(9,10)28(3,4)5)21(2)19-32-20-22-14-16-23(31-6)17-15-22/h14-17,24-25H,11-13,18-20H2,1-10H3/b26-21+/t24?,25-/m1/s1
InChIKeyWTGIICPJMDDWBO-GBFGPQISSA-N
MW518.87 g/mol
LogP6.96
Rot. Bonds13

About CID 88695283

CID 88695283 (PubChem CID 88695283) has the molecular formula C28H48NO4Si2 and a molecular weight of 518.87 g/mol.

Molecular Properties

Compound NameCID 88695283
PubChem CID88695283
Molecular FormulaC28H48NO4Si2
Molecular Weight518.87 g/mol
Exact Mass518.31
IUPAC Name—
SMILESCCCCC(C[C@@H]1/C(=C(/C)COCc2ccc(OC)cc2)C(=O)N1[Si](C)(C)C(C)(C)C)O[Si](C)C
InChIInChI=1S/C28H48NO4Si2/c1-11-12-13-24(33-34(7)8)18-25-26(27(30)29(25)35(9,10)28(3,4)5)21(2)19-32-20-22-14-16-23(31-6)17-15-22/h14-17,24-25H,11-13,18-20H2,1-10H3/b26-21+/t24?,25-/m1/s1
InChIKeyWTGIICPJMDDWBO-GBFGPQISSA-N
XLogP6.96
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.87
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88695283?
The IUPAC name of CID 88695283 (CID 88695283) is not available.
What is the SMILES notation for CID 88695283?
The canonical SMILES for CID 88695283 is CCCCC(C[C@@H]1/C(=C(/C)COCc2ccc(OC)cc2)C(=O)N1[Si](C)(C)C(C)(C)C)O[Si](C)C.
What is the InChIKey of CID 88695283?
The InChIKey is WTGIICPJMDDWBO-GBFGPQISSA-N. The full InChI is InChI=1S/C28H48NO4Si2/c1-11-12-13-24(33-34(7)8)18-25-26(27(30)29(25)35(9,10)28(3,4)5)21(2)19-32-20-22-14-16-23(31-6)17-15-22/h14-17,24-25H,11-13,18-20H2,1-10H3/b26-21+/t24?,25-/m1/s1.
What are the key properties of CID 88695283?
CID 88695283 has a molecular weight of 518.87 g/mol, XLogP of 6.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88695283 is sourced from PubChem (CID 88695283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).