CID 11410929

C32H46FeO4SSi+ — CID 11410929

IUPAC—
SMILESCC(C)C[C@H]1CC(O[Si](C)(C)C(C)(C)C)CCCC(=O)[C@@H]1[CH-]Sc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C25H41O2SSi.C5H5.2CO.Fe/c1-19(2)16-20-17-21(27-29(6,7)25(3,4)5)12-11-15-24(26)23(20)18-28-22-13-9-8-10-14-22;1-2-4-5-3-1;2*1-2;/h8-10,13-14,18-21,23H,11-12,15-17H2,1-7H3;1-5H;;;/q-1;;;;+2/t20-,21?,23+;;;;/m0..../s1
InChIKeyHEZCWFKWKUJZCE-ZGUNPBJWSA-N
MW610.71 g/mol
LogP8.70
Rot. Bonds7

About CID 11410929

CID 11410929 (PubChem CID 11410929) has the molecular formula C32H46FeO4SSi+ and a molecular weight of 610.71 g/mol.

Molecular Properties

Compound NameCID 11410929
PubChem CID11410929
Molecular FormulaC32H46FeO4SSi+
Molecular Weight610.71 g/mol
Exact Mass610.22
IUPAC Name—
SMILESCC(C)C[C@H]1CC(O[Si](C)(C)C(C)(C)C)CCCC(=O)[C@@H]1[CH-]Sc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C25H41O2SSi.C5H5.2CO.Fe/c1-19(2)16-20-17-21(27-29(6,7)25(3,4)5)12-11-15-24(26)23(20)18-28-22-13-9-8-10-14-22;1-2-4-5-3-1;2*1-2;/h8-10,13-14,18-21,23H,11-12,15-17H2,1-7H3;1-5H;;;/q-1;;;;+2/t20-,21?,23+;;;;/m0..../s1
InChIKeyHEZCWFKWKUJZCE-ZGUNPBJWSA-N
XLogP8.70
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.71
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11410929?
The IUPAC name of CID 11410929 (CID 11410929) is not available.
What is the SMILES notation for CID 11410929?
The canonical SMILES for CID 11410929 is CC(C)C[C@H]1CC(O[Si](C)(C)C(C)(C)C)CCCC(=O)[C@@H]1[CH-]Sc1ccccc1.[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 11410929?
The InChIKey is HEZCWFKWKUJZCE-ZGUNPBJWSA-N. The full InChI is InChI=1S/C25H41O2SSi.C5H5.2CO.Fe/c1-19(2)16-20-17-21(27-29(6,7)25(3,4)5)12-11-15-24(26)23(20)18-28-22-13-9-8-10-14-22;1-2-4-5-3-1;2*1-2;/h8-10,13-14,18-21,23H,11-12,15-17H2,1-7H3;1-5H;;;/q-1;;;;+2/t20-,21?,23+;;;;/m0..../s1.
What are the key properties of CID 11410929?
CID 11410929 has a molecular weight of 610.71 g/mol, XLogP of 8.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11410929 is sourced from PubChem (CID 11410929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).