CID 10863696

C22H27CoO4SSi — CID 10863696

IUPAC—
SMILESCC(=O)/C=C(C(=C\C(C)=O)/[Si](C)(C)C)\S(=O)(=O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Co]
InChIInChI=1S/C17H22O4SSi.C5H5.Co/c1-13(18)11-16(17(12-14(2)19)23(3,4)5)22(20,21)15-9-7-6-8-10-15;1-2-4-5-3-1;/h6-12H,1-5H3;1-5H;/b16-11-,17-12+;;
InChIKeyHHCMRDCYOCAIMB-WZEVRUBHSA-N
MW474.54 g/mol
LogP4.34
Rot. Bonds6

About CID 10863696

CID 10863696 (PubChem CID 10863696) has the molecular formula C22H27CoO4SSi and a molecular weight of 474.54 g/mol.

Molecular Properties

Compound NameCID 10863696
PubChem CID10863696
Molecular FormulaC22H27CoO4SSi
Molecular Weight474.54 g/mol
Exact Mass474.07
IUPAC Name—
SMILESCC(=O)/C=C(C(=C\C(C)=O)/[Si](C)(C)C)\S(=O)(=O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Co]
InChIInChI=1S/C17H22O4SSi.C5H5.Co/c1-13(18)11-16(17(12-14(2)19)23(3,4)5)22(20,21)15-9-7-6-8-10-15;1-2-4-5-3-1;/h6-12H,1-5H3;1-5H;/b16-11-,17-12+;;
InChIKeyHHCMRDCYOCAIMB-WZEVRUBHSA-N
XLogP4.34
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.34
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10863696?
The IUPAC name of CID 10863696 (CID 10863696) is not available.
What is the SMILES notation for CID 10863696?
The canonical SMILES for CID 10863696 is CC(=O)/C=C(C(=C\C(C)=O)/[Si](C)(C)C)\S(=O)(=O)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Co].
What is the InChIKey of CID 10863696?
The InChIKey is HHCMRDCYOCAIMB-WZEVRUBHSA-N. The full InChI is InChI=1S/C17H22O4SSi.C5H5.Co/c1-13(18)11-16(17(12-14(2)19)23(3,4)5)22(20,21)15-9-7-6-8-10-15;1-2-4-5-3-1;/h6-12H,1-5H3;1-5H;/b16-11-,17-12+;;.
What are the key properties of CID 10863696?
CID 10863696 has a molecular weight of 474.54 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10863696 is sourced from PubChem (CID 10863696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).