CID 73425672

C68H92O4Sn2 — CID 73425672

IUPAC—
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.CC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/6C10H13.C8H14O4.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;9-7(10)5-3-1-2-4-6-8(11)12;;/h6*4-8H,1H2,2-3H3;1-6H2,(H,9,10)(H,11,12);;
InChIKeyYBVHYVZMWHCLMP-UHFFFAOYSA-N
MW1210.90 g/mol
LogP18.33
Rot. Bonds25

About CID 73425672

CID 73425672 (PubChem CID 73425672) has the molecular formula C68H92O4Sn2 and a molecular weight of 1210.90 g/mol.

Molecular Properties

Compound NameCID 73425672
PubChem CID73425672
Molecular FormulaC68H92O4Sn2
Molecular Weight1210.90 g/mol
Exact Mass1212.50
IUPAC Name—
SMILESCC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.CC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.O=C(O)CCCCCCC(=O)O
InChIInChI=1S/6C10H13.C8H14O4.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;9-7(10)5-3-1-2-4-6-8(11)12;;/h6*4-8H,1H2,2-3H3;1-6H2,(H,9,10)(H,11,12);;
InChIKeyYBVHYVZMWHCLMP-UHFFFAOYSA-N
XLogP18.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001210.90
LogP ≤ 518.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 73425672?
The IUPAC name of CID 73425672 (CID 73425672) is not available.
What is the SMILES notation for CID 73425672?
The canonical SMILES for CID 73425672 is CC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.CC(C)(C[Sn](CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1.O=C(O)CCCCCCC(=O)O.
What is the InChIKey of CID 73425672?
The InChIKey is YBVHYVZMWHCLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H13.C8H14O4.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;9-7(10)5-3-1-2-4-6-8(11)12;;/h6*4-8H,1H2,2-3H3;1-6H2,(H,9,10)(H,11,12);;.
What are the key properties of CID 73425672?
CID 73425672 has a molecular weight of 1210.90 g/mol, XLogP of 18.33, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73425672 is sourced from PubChem (CID 73425672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).