Back to Search
Molecule
1-Pentadecene
CAS: 13360-61-7 · C15H30
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13360-61-7
- Molecular Formula
- C15H30
- Molecular Mass
- 210.40 g/mol
Identifiers
CAS Registry Number
13360-61-7
SMILES
C=CCCCCCCCCCCCCC
InChI Key
PJLHTVIBELQURV-UHFFFAOYSA-N
InChI
InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
Names and Synonyms
- 1-Pentadecene Synonym
- 1-Pentadecene Synonym
- NSC 77125 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 210.40 g/mol | CAS Common Chemistry |
| 210.40499999999994 g/mol | RDKit | |
| 210.405 g/mol | RDKit | |
| Density | 0.78 g/cm³ | CAS Common Chemistry |
| 0.7769 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 268.2 °C | CAS Common Chemistry |
| Canonical SMILES | C=CCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PJLHTVIBELQURV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -2.8 °C | CAS Common Chemistry |
| Name | 1-Pentadecene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.873500000000005 | RDKit |
| 5.8735 | RDKit | |
| 5.74 | chempirical lib | |
| Molar Refractivity | 71.27500000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8667 | RDKit |
| 0.87 | chempirical lib | |
| Exact Mass | 210.23475095999999 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 = 210.40 g/mol; density = 0.780 g/mL. Edit any field — others recompute live.
