CID 134991311

C25H45LuSi3- — CID 134991311

IUPAC—
SMILESCC[Si](CC)([C]1[CH][CH][CH][CH]1)[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/C18H26Si.C7H19Si2.Lu/c1-7-19(8-2,17-11-9-10-12-17)18-15(5)13(3)14(4)16(18)6;1-8(2,3)7-9(4,5)6;/h9-12H,7-8H2,1-6H3;7H,1-6H3;/q;-1;
InChIKeyLVDLLCUCFJIUPF-UHFFFAOYSA-N
MW604.86 g/mol
LogP7.87
Rot. Bonds6

About CID 134991311

CID 134991311 (PubChem CID 134991311) has the molecular formula C25H45LuSi3- and a molecular weight of 604.86 g/mol.

Molecular Properties

Compound NameCID 134991311
PubChem CID134991311
Molecular FormulaC25H45LuSi3-
Molecular Weight604.86 g/mol
Exact Mass604.22
IUPAC Name—
SMILESCC[Si](CC)([C]1[CH][CH][CH][CH]1)[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/C18H26Si.C7H19Si2.Lu/c1-7-19(8-2,17-11-9-10-12-17)18-15(5)13(3)14(4)16(18)6;1-8(2,3)7-9(4,5)6;/h9-12H,7-8H2,1-6H3;7H,1-6H3;/q;-1;
InChIKeyLVDLLCUCFJIUPF-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.86
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134991311?
The IUPAC name of CID 134991311 (CID 134991311) is not available.
What is the SMILES notation for CID 134991311?
The canonical SMILES for CID 134991311 is CC[Si](CC)([C]1[CH][CH][CH][CH]1)[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu].
What is the InChIKey of CID 134991311?
The InChIKey is LVDLLCUCFJIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Si.C7H19Si2.Lu/c1-7-19(8-2,17-11-9-10-12-17)18-15(5)13(3)14(4)16(18)6;1-8(2,3)7-9(4,5)6;/h9-12H,7-8H2,1-6H3;7H,1-6H3;/q;-1;.
What are the key properties of CID 134991311?
CID 134991311 has a molecular weight of 604.86 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134991311 is sourced from PubChem (CID 134991311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).