CID 87572227

C8H16O2Pb — CID 87572227

IUPAC—
SMILESCCCCCC(=O)OCC.[Pb]
InChIInChI=1S/C8H16O2.Pb/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyLGXFZTFVTSKMEF-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.75
Rot. Bonds5

About CID 87572227

CID 87572227 (PubChem CID 87572227) has the molecular formula C8H16O2Pb and a molecular weight of 351.41 g/mol.

Molecular Properties

Compound NameCID 87572227
PubChem CID87572227
Molecular FormulaC8H16O2Pb
Molecular Weight351.41 g/mol
Exact Mass352.09
IUPAC Name—
SMILESCCCCCC(=O)OCC.[Pb]
InChIInChI=1S/C8H16O2.Pb/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;
InChIKeyLGXFZTFVTSKMEF-UHFFFAOYSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 87572227?
The IUPAC name of CID 87572227 (CID 87572227) is not available.
What is the SMILES notation for CID 87572227?
The canonical SMILES for CID 87572227 is CCCCCC(=O)OCC.[Pb].
What is the InChIKey of CID 87572227?
The InChIKey is LGXFZTFVTSKMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.Pb/c1-3-5-6-7-8(9)10-4-2;/h3-7H2,1-2H3;.
What are the key properties of CID 87572227?
CID 87572227 has a molecular weight of 351.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87572227 is sourced from PubChem (CID 87572227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).