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Molecule
Palmitoleic Acid
CAS: 373-49-9 · C16H30O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 373-49-9
- Molecular Formula
- C16H30O2
- Molecular Mass
- 254.41 g/mol
Identifiers
CAS Registry Number
373-49-9
SMILES
CCCCCC/C=CCCCCCCCC(=O)O
InChI Key
SECPZKHBENQXJG-FPLPWBNLSA-N
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
Names and Synonyms
- Palmitoleic Acid Common Name
- 9-Hexadecenoic acid, (9Z)- Synonym
- 9-Hexadecenoic acid, (Z)- Synonym
- Palmitoleic acid Synonym
- (9Z)-9-Hexadecenoic acid Synonym
- cis-Δ9-Hexadecenoic acid Synonym
- cis-9-Hexadecenoic acid Synonym
- 9-cis-Hexadecenoic acid Synonym
- (Z)-9-Hexadecenoic acid Synonym
- Zoomeric acid Synonym
- cis-Palmitoleic acid Synonym
- C16:1 Synonym
- Oleopalmitic acid Synonym
- 9Z-Hexadecenoic acid Synonym
- 9-Hexadecenoic acid Synonym
- (Z)-Hexadec-9-enoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.41 g/mol | CAS Common Chemistry |
| 254.4139999999999 g/mol | RDKit | |
| 254.414 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Palmitoleic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CCCCCCCC=CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- | CAS Common Chemistry |
| InChI Key | InChIKey=SECPZKHBENQXJG-FPLPWBNLSA-N | CAS Common Chemistry |
| Melting Point | -0.1 °C | CAS Common Chemistry |
| Name | Palmitoleic acid | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 5.328300000000005 | RDKit |
| 5.3283 | RDKit | |
| 5.25 | chempirical lib | |
| Molar Refractivity | 77.85380000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8125 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 254.2245802 g/mol | RDKit |
| Boiling Point | 146 °C @ 0.4 Torr | 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 = 254.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H30O2.
