CID 86070596

C34H44Si2Sn — CID 86070596

IUPAC—
SMILESCC(C)(C)[Sn]C(C)(C)C.C[Si](c1ccccc1)c1ccccc1.C[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H13Si.2C4H9.Sn/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-4(2)3;/h2*2-11H,1H3;2*1-3H3;
InChIKeyBBXYMPJRYGJASN-UHFFFAOYSA-N
MW627.61 g/mol
LogP6.98
Rot. Bonds4

About CID 86070596

CID 86070596 (PubChem CID 86070596) has the molecular formula C34H44Si2Sn and a molecular weight of 627.61 g/mol.

Molecular Properties

Compound NameCID 86070596
PubChem CID86070596
Molecular FormulaC34H44Si2Sn
Molecular Weight627.61 g/mol
Exact Mass628.20
IUPAC Name—
SMILESCC(C)(C)[Sn]C(C)(C)C.C[Si](c1ccccc1)c1ccccc1.C[Si](c1ccccc1)c1ccccc1
InChIInChI=1S/2C13H13Si.2C4H9.Sn/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-4(2)3;/h2*2-11H,1H3;2*1-3H3;
InChIKeyBBXYMPJRYGJASN-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.61
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 86070596 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 86070596?
The IUPAC name of CID 86070596 (CID 86070596) is not available.
What is the SMILES notation for CID 86070596?
The canonical SMILES for CID 86070596 is CC(C)(C)[Sn]C(C)(C)C.C[Si](c1ccccc1)c1ccccc1.C[Si](c1ccccc1)c1ccccc1.
What is the InChIKey of CID 86070596?
The InChIKey is BBXYMPJRYGJASN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13Si.2C4H9.Sn/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2*1-4(2)3;/h2*2-11H,1H3;2*1-3H3;.
What are the key properties of CID 86070596?
CID 86070596 has a molecular weight of 627.61 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86070596 is sourced from PubChem (CID 86070596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).