CID 23623890

C80H152O16Pb2-8 — CID 23623890

IUPAC—
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Pb].[Pb]
InChIInChI=1S/8C10H20O2.2Pb/c8*1-2-3-4-5-6-7-8-9-10(11)12;;/h8*2-9H2,1H3,(H,11,12);;/p-8
InChIKeyOWNABFUGNPDEHV-UHFFFAOYSA-F
MW1784.48 g/mol
LogP14.25
Rot. Bonds64

About CID 23623890

CID 23623890 (PubChem CID 23623890) has the molecular formula C80H152O16Pb2-8 and a molecular weight of 1784.48 g/mol.

Molecular Properties

Compound NameCID 23623890
PubChem CID23623890
Molecular FormulaC80H152O16Pb2-8
Molecular Weight1784.48 g/mol
Exact Mass1785.07
IUPAC Name—
SMILESCCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Pb].[Pb]
InChIInChI=1S/8C10H20O2.2Pb/c8*1-2-3-4-5-6-7-8-9-10(11)12;;/h8*2-9H2,1H3,(H,11,12);;/p-8
InChIKeyOWNABFUGNPDEHV-UHFFFAOYSA-F
XLogP14.25
TPSA321.04 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds64
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.48
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 23623890?
The IUPAC name of CID 23623890 (CID 23623890) is not available.
What is the SMILES notation for CID 23623890?
The canonical SMILES for CID 23623890 is CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].CCCCCCCCCC(=O)[O-].[Pb].[Pb].
What is the InChIKey of CID 23623890?
The InChIKey is OWNABFUGNPDEHV-UHFFFAOYSA-F. The full InChI is InChI=1S/8C10H20O2.2Pb/c8*1-2-3-4-5-6-7-8-9-10(11)12;;/h8*2-9H2,1H3,(H,11,12);;/p-8.
What are the key properties of CID 23623890?
CID 23623890 has a molecular weight of 1784.48 g/mol, XLogP of 14.25, 64 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23623890 is sourced from PubChem (CID 23623890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).