trimethylplumbyl 2-ethylhexanoate

C11H24O2Pb — CID 16683317

IUPACtrimethylplumbyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Pb](C)(C)C
InChIInChI=1S/C8H16O2.3CH3.Pb/c1-3-5-6-7(4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*1H3;/q;;;;+1/p-1
InChIKeyJXDZOBJJEHJJBV-UHFFFAOYSA-M
MW395.51 g/mol
LogP3.58
Rot. Bonds6

About trimethylplumbyl 2-ethylhexanoate

trimethylplumbyl 2-ethylhexanoate (PubChem CID 16683317) has the molecular formula C11H24O2Pb and a molecular weight of 395.51 g/mol. Its IUPAC name is trimethylplumbyl 2-ethylhexanoate.

Molecular Properties

Compound Nametrimethylplumbyl 2-ethylhexanoate
PubChem CID16683317
Molecular FormulaC11H24O2Pb
Molecular Weight395.51 g/mol
Exact Mass396.15
IUPAC Nametrimethylplumbyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)O[Pb](C)(C)C
InChIInChI=1S/C8H16O2.3CH3.Pb/c1-3-5-6-7(4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*1H3;/q;;;;+1/p-1
InChIKeyJXDZOBJJEHJJBV-UHFFFAOYSA-M
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trimethylplumbyl 2-ethylhexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
1-hydroxyethyl 2-ethylhexanoate
CID 22112693
CID 16684285
CID 16684285
pentan-3-yl 2-ethylhexanoate
CID 22213614
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
2-methylpropyl (2S)-2-ethylhexanoate
CID 40565508
2,2-dimethylpropanoyl 2-ethylhexanoate
CID 57098053
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750

Frequently Asked Questions

What is the IUPAC name of trimethylplumbyl 2-ethylhexanoate?
The IUPAC name of trimethylplumbyl 2-ethylhexanoate (CID 16683317) is trimethylplumbyl 2-ethylhexanoate.
What is the SMILES notation for trimethylplumbyl 2-ethylhexanoate?
The canonical SMILES for trimethylplumbyl 2-ethylhexanoate is CCCCC(CC)C(=O)O[Pb](C)(C)C.
What is the InChIKey of trimethylplumbyl 2-ethylhexanoate?
The InChIKey is JXDZOBJJEHJJBV-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O2.3CH3.Pb/c1-3-5-6-7(4-2)8(9)10;;;;/h7H,3-6H2,1-2H3,(H,9,10);3*1H3;/q;;;;+1/p-1.
What are the key properties of trimethylplumbyl 2-ethylhexanoate?
trimethylplumbyl 2-ethylhexanoate has a molecular weight of 395.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylplumbyl 2-ethylhexanoate is sourced from PubChem (CID 16683317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).