CID 11071866

C27H49LaSi2- — CID 11071866

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.[La]
InChIInChI=1S/2C10H15.C7H19Si2.La/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;
InChIKeyBLQQKGCVANXTBH-UHFFFAOYSA-N
MW568.77 g/mol
LogP9.48
Rot. Bonds2

About CID 11071866

CID 11071866 (PubChem CID 11071866) has the molecular formula C27H49LaSi2- and a molecular weight of 568.77 g/mol.

Molecular Properties

Compound NameCID 11071866
PubChem CID11071866
Molecular FormulaC27H49LaSi2-
Molecular Weight568.77 g/mol
Exact Mass568.24
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.[La]
InChIInChI=1S/2C10H15.C7H19Si2.La/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;
InChIKeyBLQQKGCVANXTBH-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 ≤ 500568.77
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 11071866?
The IUPAC name of CID 11071866 (CID 11071866) is not available.
What is the SMILES notation for CID 11071866?
The canonical SMILES for CID 11071866 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.[La].
What is the InChIKey of CID 11071866?
The InChIKey is BLQQKGCVANXTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.La/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 11071866?
CID 11071866 has a molecular weight of 568.77 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 11071866 is sourced from PubChem (CID 11071866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).