CID 135046590

C27H49LuSi2- — CID 135046590

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/2C10H15.C7H19Si2.Lu/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyMCDSCDLALSIAOJ-UHFFFAOYSA-N
MW604.83 g/mol
LogP9.48
Rot. Bonds2

About CID 135046590

CID 135046590 (PubChem CID 135046590) has the molecular formula C27H49LuSi2- and a molecular weight of 604.83 g/mol.

Molecular Properties

Compound NameCID 135046590
PubChem CID135046590
Molecular FormulaC27H49LuSi2-
Molecular Weight604.83 g/mol
Exact Mass604.28
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu]
InChIInChI=1S/2C10H15.C7H19Si2.Lu/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;
InChIKeyMCDSCDLALSIAOJ-UHFFFAOYSA-N
XLogP9.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.83
LogP ≤ 59.48
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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Frequently Asked Questions

What is the IUPAC name of CID 135046590?
The IUPAC name of CID 135046590 (CID 135046590) is not available.
What is the SMILES notation for CID 135046590?
The canonical SMILES for CID 135046590 is C[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Lu].
What is the InChIKey of CID 135046590?
The InChIKey is MCDSCDLALSIAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Lu/c2*1-6-7(2)9(4)10(5)8(6)3;1-8(2,3)7-9(4,5)6;/h2*1-5H3;7H,1-6H3;/q;;-1;.
What are the key properties of CID 135046590?
CID 135046590 has a molecular weight of 604.83 g/mol, XLogP of 9.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046590 is sourced from PubChem (CID 135046590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).