CID 135046629

C26H48CeNSi2- — CID 135046629

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.[Ce]
InChIInChI=1S/2C10H15.C6H18NSi2.Ce/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;
InChIKeyBCQZCYMNZMHEHF-UHFFFAOYSA-N
MW570.97 g/mol
LogP8.97
Rot. Bonds2

About CID 135046629

CID 135046629 (PubChem CID 135046629) has the molecular formula C26H48CeNSi2- and a molecular weight of 570.97 g/mol.

Molecular Properties

Compound NameCID 135046629
PubChem CID135046629
Molecular FormulaC26H48CeNSi2-
Molecular Weight570.97 g/mol
Exact Mass570.24
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.[Ce]
InChIInChI=1S/2C10H15.C6H18NSi2.Ce/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;
InChIKeyBCQZCYMNZMHEHF-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 ≤ 500570.97
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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Frequently Asked Questions

What is the IUPAC name of CID 135046629?
The IUPAC name of CID 135046629 (CID 135046629) is not available.
What is the SMILES notation for CID 135046629?
The canonical SMILES for CID 135046629 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.[Ce].
What is the InChIKey of CID 135046629?
The InChIKey is BCQZCYMNZMHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.C6H18NSi2.Ce/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 135046629?
CID 135046629 has a molecular weight of 570.97 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 135046629 is sourced from PubChem (CID 135046629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).