CID 135046628

C26H48NSi2Sm- — CID 135046628

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.[Sm]
InChIInChI=1S/2C10H15.C6H18NSi2.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;1-6H3;/q;;-1;
InChIKeyBZFNTFHSHFUDIA-UHFFFAOYSA-N
MW581.21 g/mol
LogP8.97
Rot. Bonds2

About CID 135046628

CID 135046628 (PubChem CID 135046628) has the molecular formula C26H48NSi2Sm- and a molecular weight of 581.21 g/mol.

Molecular Properties

Compound NameCID 135046628
PubChem CID135046628
Molecular FormulaC26H48NSi2Sm-
Molecular Weight581.21 g/mol
Exact Mass582.25
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.[Sm]
InChIInChI=1S/2C10H15.C6H18NSi2.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;1-6H3;/q;;-1;
InChIKeyBZFNTFHSHFUDIA-UHFFFAOYSA-N
XLogP8.97
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.21
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 134882043
CID 134882043
CID 134902058
CID 134902058
CID 134902093
CID 134902093
CID 134902262
CID 134902262
CID 134902618
CID 134902618
CID 134991311
CID 134991311
CID 135046370
CID 135046370
CID 135046588
CID 135046588
CID 135046625
CID 135046625
CID 135046629
CID 135046629
CID 135046650
CID 135046650
CID 135046651
CID 135046651

Frequently Asked Questions

What is the IUPAC name of CID 135046628?
The IUPAC name of CID 135046628 (CID 135046628) is not available.
What is the SMILES notation for CID 135046628?
The canonical SMILES for CID 135046628 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.C[Si](C)(C)[N-][Si](C)(C)C.[Sm].
What is the InChIKey of CID 135046628?
The InChIKey is BZFNTFHSHFUDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C6H18NSi2.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;1-6H3;/q;;-1;.
What are the key properties of CID 135046628?
CID 135046628 has a molecular weight of 581.21 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046628 is sourced from PubChem (CID 135046628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).