Back to Search
Molecule
Tetradecanoic Acid, 2,5-Dioxo-1-Pyrrolidinyl Ester
CAS: 69888-86-4 · C18H31NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 69888-86-4
- Molecular Formula
- C18H31NO4
- Molecular Mass
- 325.45 g/mol
Identifiers
CAS Registry Number
69888-86-4
SMILES
CCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChI Key
NZEDHZOVUDEBGW-UHFFFAOYSA-N
InChI
InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3
Names and Synonyms
- Tetradecanoic Acid, 2,5-Dioxo-1-Pyrrolidinyl Ester Systematic Name
- Tetradecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester Synonym
- 2,5-Pyrrolidinedione, 1-[(1-oxotetradecyl)oxy]- Synonym
- N-Hydroxysuccinimide myristate Synonym
- Tetradecanoic acid N-hydroxysuccinimide ester Synonym
- Myristic acid N-hydroxysuccinimide ester Synonym
- Succinimidyl tetradecanoate Synonym
- 2,5-Dioxopyrrolidin-1-yl tetradecanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 325.45 g/mol | CAS Common Chemistry |
| 325.44900000000007 g/mol | RDKit | |
| 325.449 g/mol | RDKit | |
| Canonical SMILES | O=C(ON1C(=O)CCC1=O)CCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H31NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(22)23-19-16(20)14-15-17(19)21/h2-15H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NZEDHZOVUDEBGW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 85-86 °C | CAS Common Chemistry |
| Name | Tetradecanoic acid, 2,5-dioxo-1-pyrrolidinyl ester | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 13 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.68 Ų | RDKit |
| 63.45 Ų | chempirical lib | |
| LogP | 4.294700000000003 | RDKit |
| 4.2947 | RDKit | |
| 4.6 | chempirical lib | |
| Molar Refractivity | 88.25700000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 325.225308472 g/mol | RDKit |
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
Convert
Quick conversion
MW = 325.45 g/mol. Edit any field — others recompute live.
