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Molecule
Hexanoic Acid, 2-Ethyl-, Lead(2+) Salt (2:1)
CAS: 301-08-6 · C8H16O2Pb
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 301-08-6
- Molecular Formula
- C8H16O2Pb
- Molecular Mass
- 351.414 g/mol
Identifiers
CAS Registry Number
301-08-6
SMILES
CCCCC(CC)C(=O)O.[Pb]
InChI Key
ONQAUOMFCUFPBJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O2.Pb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);
Names and Synonyms
- Hexanoic Acid, 2-Ethyl-, Lead(2+) Salt (2:1) Synonym
- Hexanoic acid, 2-ethyl-, lead(2+) salt (2:1) Synonym
- Hexanoic acid, 2-ethyl-, lead(2+) salt Synonym
- Lead bis(2-ethylhexanoate) Synonym
- Lead(II) 2-ethylhexanoate Synonym
- Lead(2+) 2-ethylhexanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.56 g/cm³ | CAS Common Chemistry |
| 1.560 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Pb].O=C(O)C(CC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H16O2.Pb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=ONQAUOMFCUFPBJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Hexanoic acid, 2-ethyl-, lead(2+) salt (2:1) | CAS Common Chemistry |
| Molecular Mass | 351.414 g/mol | RDKit |
| 352.09168185199997 g/mol | RDKit | |
| 353.43 g/mol | chempirical lib | |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.9066 | RDKit |
| Molar Refractivity | 46.69580000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 351.41 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 351.41 g/mol; density = 1.560 g/mL. Edit any field — others recompute live.
