CID 11457332

C44H96LiO4Si6Y+4 — CID 11457332

IUPAC—
SMILESC1CCOC1.C1CCOC1.CCOCC.CCOCC.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.[Li+].[Y+3]
InChIInChI=1S/2C14H30Si3.2C4H8O.2C4H10O.Li.Y/c2*1-15(2,3)11-9-13-17(7,8)14-10-12-16(4,5)6;2*1-2-4-5-3-1;2*1-3-5-4-2;;/h2*9-14H,1-8H3;2*1-4H2;2*3-4H2,1-2H3;;/q;;;;;;+1;+3
InChIKeyAPGIMXPPMCJVJT-UHFFFAOYSA-N
MW953.61 g/mol
LogP10.19
Rot. Bonds20

About CID 11457332

CID 11457332 (PubChem CID 11457332) has the molecular formula C44H96LiO4Si6Y+4 and a molecular weight of 953.61 g/mol.

Molecular Properties

Compound NameCID 11457332
PubChem CID11457332
Molecular FormulaC44H96LiO4Si6Y+4
Molecular Weight953.61 g/mol
Exact Mass952.51
IUPAC Name—
SMILESC1CCOC1.C1CCOC1.CCOCC.CCOCC.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.[Li+].[Y+3]
InChIInChI=1S/2C14H30Si3.2C4H8O.2C4H10O.Li.Y/c2*1-15(2,3)11-9-13-17(7,8)14-10-12-16(4,5)6;2*1-2-4-5-3-1;2*1-3-5-4-2;;/h2*9-14H,1-8H3;2*1-4H2;2*3-4H2,1-2H3;;/q;;;;;;+1;+3
InChIKeyAPGIMXPPMCJVJT-UHFFFAOYSA-N
XLogP10.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.61
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11457332?
The IUPAC name of CID 11457332 (CID 11457332) is not available.
What is the SMILES notation for CID 11457332?
The canonical SMILES for CID 11457332 is C1CCOC1.C1CCOC1.CCOCC.CCOCC.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.C[Si](C)(C)[CH][CH][CH][Si](C)(C)[CH][CH][CH][Si](C)(C)C.[Li+].[Y+3].
What is the InChIKey of CID 11457332?
The InChIKey is APGIMXPPMCJVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H30Si3.2C4H8O.2C4H10O.Li.Y/c2*1-15(2,3)11-9-13-17(7,8)14-10-12-16(4,5)6;2*1-2-4-5-3-1;2*1-3-5-4-2;;/h2*9-14H,1-8H3;2*1-4H2;2*3-4H2,1-2H3;;/q;;;;;;+1;+3.
What are the key properties of CID 11457332?
CID 11457332 has a molecular weight of 953.61 g/mol, XLogP of 10.19, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11457332 is sourced from PubChem (CID 11457332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).