CID 10895357

C21H31CoO4Si — CID 10895357

IUPAC—
SMILESCC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H26O4Si.C5H5.Co/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6;1-2-4-5-3-1;/h8,11H,7,9-10H2,1-6H3;1-5H;/b12-8+,13-11+;;
InChIKeyWBNOUIBETJRAFQ-BCKWKPOXSA-N
MW434.49 g/mol
LogP4.57
Rot. Bonds4

About CID 10895357

CID 10895357 (PubChem CID 10895357) has the molecular formula C21H31CoO4Si and a molecular weight of 434.49 g/mol.

Molecular Properties

Compound NameCID 10895357
PubChem CID10895357
Molecular FormulaC21H31CoO4Si
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC Name—
SMILESCC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C.[CH]1C=CC=C1.[Co]
InChIInChI=1S/C16H26O4Si.C5H5.Co/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6;1-2-4-5-3-1;/h8,11H,7,9-10H2,1-6H3;1-5H;/b12-8+,13-11+;;
InChIKeyWBNOUIBETJRAFQ-BCKWKPOXSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 10895357?
The IUPAC name of CID 10895357 (CID 10895357) is not available.
What is the SMILES notation for CID 10895357?
The canonical SMILES for CID 10895357 is CC/C=C1\CC(C(=O)OC)(C(=O)OC)C\C1=C/[Si](C)(C)C.[CH]1C=CC=C1.[Co].
What is the InChIKey of CID 10895357?
The InChIKey is WBNOUIBETJRAFQ-BCKWKPOXSA-N. The full InChI is InChI=1S/C16H26O4Si.C5H5.Co/c1-7-8-12-9-16(14(17)19-2,15(18)20-3)10-13(12)11-21(4,5)6;1-2-4-5-3-1;/h8,11H,7,9-10H2,1-6H3;1-5H;/b12-8+,13-11+;;.
What are the key properties of CID 10895357?
CID 10895357 has a molecular weight of 434.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10895357 is sourced from PubChem (CID 10895357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).