CID 135046650

C27H49NdSi3- — CID 135046650

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/C20H30Si.C7H19Si2.Nd/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;
InChIKeyXPJAJPXHGCAFNO-UHFFFAOYSA-N
MW602.19 g/mol
LogP8.65
Rot. Bonds4

About CID 135046650

CID 135046650 (PubChem CID 135046650) has the molecular formula C27H49NdSi3- and a molecular weight of 602.19 g/mol.

Molecular Properties

Compound NameCID 135046650
PubChem CID135046650
Molecular FormulaC27H49NdSi3-
Molecular Weight602.19 g/mol
Exact Mass599.22
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/C20H30Si.C7H19Si2.Nd/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;
InChIKeyXPJAJPXHGCAFNO-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.19
LogP ≤ 58.65
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'}

Analyze CID 135046650 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 135046650?
The IUPAC name of CID 135046650 (CID 135046650) is not available.
What is the SMILES notation for CID 135046650?
The canonical SMILES for CID 135046650 is C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[C](C)[C](C)[C](C)[C]2C)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd].
What is the InChIKey of CID 135046650?
The InChIKey is XPJAJPXHGCAFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30Si.C7H19Si2.Nd/c1-11-12(2)16(6)19(15(11)5)21(9,10)20-17(7)13(3)14(4)18(20)8;1-8(2,3)7-9(4,5)6;/h1-10H3;7H,1-6H3;/q;-1;.
What are the key properties of CID 135046650?
CID 135046650 has a molecular weight of 602.19 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046650 is sourced from PubChem (CID 135046650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).