CID 66973802

C17H24O7Si3 — CID 66973802

IUPAC—
SMILESCOC(C(=O)OCCC(C)C)=C(OC)c1ccccc1OC.[Si]O[Si]O[Si]
InChIInChI=1S/C17H24O5.O2Si3/c1-12(2)10-11-22-17(18)16(21-5)15(20-4)13-8-6-7-9-14(13)19-3;3-1-5-2-4/h6-9,12H,10-11H2,1-5H3;
InChIKeyVTGCFENFRHXUJI-UHFFFAOYSA-N
MW424.63 g/mol
LogP1.97
Rot. Bonds10

About CID 66973802

CID 66973802 (PubChem CID 66973802) has the molecular formula C17H24O7Si3 and a molecular weight of 424.63 g/mol.

Molecular Properties

Compound NameCID 66973802
PubChem CID66973802
Molecular FormulaC17H24O7Si3
Molecular Weight424.63 g/mol
Exact Mass424.08
IUPAC Name—
SMILESCOC(C(=O)OCCC(C)C)=C(OC)c1ccccc1OC.[Si]O[Si]O[Si]
InChIInChI=1S/C17H24O5.O2Si3/c1-12(2)10-11-22-17(18)16(21-5)15(20-4)13-8-6-7-9-14(13)19-3;3-1-5-2-4/h6-9,12H,10-11H2,1-5H3;
InChIKeyVTGCFENFRHXUJI-UHFFFAOYSA-N
XLogP1.97
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 66973802?
The IUPAC name of CID 66973802 (CID 66973802) is not available.
What is the SMILES notation for CID 66973802?
The canonical SMILES for CID 66973802 is COC(C(=O)OCCC(C)C)=C(OC)c1ccccc1OC.[Si]O[Si]O[Si].
What is the InChIKey of CID 66973802?
The InChIKey is VTGCFENFRHXUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5.O2Si3/c1-12(2)10-11-22-17(18)16(21-5)15(20-4)13-8-6-7-9-14(13)19-3;3-1-5-2-4/h6-9,12H,10-11H2,1-5H3;.
What are the key properties of CID 66973802?
CID 66973802 has a molecular weight of 424.63 g/mol, XLogP of 1.97, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66973802 is sourced from PubChem (CID 66973802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).