CID 173266228

C26H46Li2O2Si2 — CID 173266228

IUPAC—
SMILESC[Si]OC(C)C.C[Si]OC(C)C.Cc1cc(C)[c-](C)c1C.Cc1cc(C)[c-](C)c1C.[Li+].[Li+]
InChIInChI=1S/2C9H13.2C4H10OSi.2Li/c2*1-6-5-7(2)9(4)8(6)3;2*1-4(2)5-6-3;;/h2*5H,1-4H3;2*4H,1-3H3;;/q2*-1;;;2*+1
InChIKeyPDOBNLGUIDTIMA-UHFFFAOYSA-N
MW460.71 g/mol
LogP1.44
Rot. Bonds4

About CID 173266228

CID 173266228 (PubChem CID 173266228) has the molecular formula C26H46Li2O2Si2 and a molecular weight of 460.71 g/mol.

Molecular Properties

Compound NameCID 173266228
PubChem CID173266228
Molecular FormulaC26H46Li2O2Si2
Molecular Weight460.71 g/mol
Exact Mass460.34
IUPAC Name—
SMILESC[Si]OC(C)C.C[Si]OC(C)C.Cc1cc(C)[c-](C)c1C.Cc1cc(C)[c-](C)c1C.[Li+].[Li+]
InChIInChI=1S/2C9H13.2C4H10OSi.2Li/c2*1-6-5-7(2)9(4)8(6)3;2*1-4(2)5-6-3;;/h2*5H,1-4H3;2*4H,1-3H3;;/q2*-1;;;2*+1
InChIKeyPDOBNLGUIDTIMA-UHFFFAOYSA-N
XLogP1.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.71
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173266228?
The IUPAC name of CID 173266228 (CID 173266228) is not available.
What is the SMILES notation for CID 173266228?
The canonical SMILES for CID 173266228 is C[Si]OC(C)C.C[Si]OC(C)C.Cc1cc(C)[c-](C)c1C.Cc1cc(C)[c-](C)c1C.[Li+].[Li+].
What is the InChIKey of CID 173266228?
The InChIKey is PDOBNLGUIDTIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H13.2C4H10OSi.2Li/c2*1-6-5-7(2)9(4)8(6)3;2*1-4(2)5-6-3;;/h2*5H,1-4H3;2*4H,1-3H3;;/q2*-1;;;2*+1.
What are the key properties of CID 173266228?
CID 173266228 has a molecular weight of 460.71 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173266228 is sourced from PubChem (CID 173266228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).