CID 11050134

C27H49Si2Sm- — CID 11050134

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.[Sm]
InChIInChI=1S/2C10H15.C7H19Si2.Sm/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;
InChIKeyOORBILHWGXWOAF-UHFFFAOYSA-N
MW580.22 g/mol
LogP9.48
Rot. Bonds2

About CID 11050134

CID 11050134 (PubChem CID 11050134) has the molecular formula C27H49Si2Sm- and a molecular weight of 580.22 g/mol.

Molecular Properties

Compound NameCID 11050134
PubChem CID11050134
Molecular FormulaC27H49Si2Sm-
Molecular Weight580.22 g/mol
Exact Mass581.26
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.[Sm]
InChIInChI=1S/2C10H15.C7H19Si2.Sm/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;
InChIKeyOORBILHWGXWOAF-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 ≤ 500580.22
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 11050134?
The IUPAC name of CID 11050134 (CID 11050134) is not available.
What is the SMILES notation for CID 11050134?
The canonical SMILES for CID 11050134 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.[Sm].
What is the InChIKey of CID 11050134?
The InChIKey is OORBILHWGXWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C7H19Si2.Sm/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 11050134?
CID 11050134 has a molecular weight of 580.22 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 11050134 is sourced from PubChem (CID 11050134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).