CID 6333095

C16H35O2Pb — CID 6333095

IUPAC—
SMILESCC(C)C(=O)O.CCCC[Pb](CCCC)CCCC
InChIInChI=1S/C4H8O2.3C4H9.Pb/c1-3(2)4(5)6;3*1-3-4-2;/h3H,1-2H3,(H,5,6);3*1,3-4H2,2H3;
InChIKeyRLABJLOTKHKTEY-UHFFFAOYSA-N
MW466.65 g/mol
LogP5.61
Rot. Bonds10

About CID 6333095

CID 6333095 (PubChem CID 6333095) has the molecular formula C16H35O2Pb and a molecular weight of 466.65 g/mol.

Molecular Properties

Compound NameCID 6333095
PubChem CID6333095
Molecular FormulaC16H35O2Pb
Molecular Weight466.65 g/mol
Exact Mass467.24
IUPAC Name—
SMILESCC(C)C(=O)O.CCCC[Pb](CCCC)CCCC
InChIInChI=1S/C4H8O2.3C4H9.Pb/c1-3(2)4(5)6;3*1-3-4-2;/h3H,1-2H3,(H,5,6);3*1,3-4H2,2H3;
InChIKeyRLABJLOTKHKTEY-UHFFFAOYSA-N
XLogP5.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 161404788
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2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
azane;2-methylpropanoic acid;hydrate
CID 161320294
bis(2-methylpropanoic acid);propane-1,3-diol
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2-methylpropanoic acid;propanoic acid;zirconium
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Frequently Asked Questions

What is the IUPAC name of CID 6333095?
The IUPAC name of CID 6333095 (CID 6333095) is not available.
What is the SMILES notation for CID 6333095?
The canonical SMILES for CID 6333095 is CC(C)C(=O)O.CCCC[Pb](CCCC)CCCC.
What is the InChIKey of CID 6333095?
The InChIKey is RLABJLOTKHKTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.3C4H9.Pb/c1-3(2)4(5)6;3*1-3-4-2;/h3H,1-2H3,(H,5,6);3*1,3-4H2,2H3;.
What are the key properties of CID 6333095?
CID 6333095 has a molecular weight of 466.65 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6333095 is sourced from PubChem (CID 6333095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).