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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
Names and Synonyms:
Palmitoleic Acid
9-Hexadecenoic acid, (9Z)-
9-Hexadecenoic acid, (Z)-
Palmitoleic acid
(9Z)-9-Hexadecenoic acid
cis-Δ9-Hexadecenoic acid
cis-9-Hexadecenoic acid
9-cis-Hexadecenoic acid
(Z)-9-Hexadecenoic acid
Zoomeric acid
cis-Palmitoleic acid
C16:1
Oleopalmitic acid
9Z-Hexadecenoic acid
9-Hexadecenoic acid
(Z)-Hexadec-9-enoic acid
Identifiers:
SMILES:
CCCCCC/C=CCCCCCCCC(=O)O
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-
Key Properties
Boiling Point
146 °C @ Press: 0.4 Torr
CAS Common Chemistry
Melting Point
-0.1 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.41 g/mol | CAS Common Chemistry |
| 254.4139999999999 g/mol | RDKit | |
| 254.2245802 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Palmitoleic_acid | CAS Common Chemistry |
| Boiling Point | 146 °C @ Press: 0.4 Torr | 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 |
| Molar Refractivity | 77.85380000000006 | RDKit |
