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Molecule
Galaxolide
CAS: 1222-05-5 · C18H26O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1222-05-5
- Molecular Formula
- C18H26O
- Molecular Mass
- 258.41 g/mol
Identifiers
CAS Registry Number
1222-05-5
SMILES
CC1COCc2cc3c(cc21)C(C)(C)C(C)C3(C)C
InChI Key
ONKNPOPIGWHAQC-UHFFFAOYSA-N
InChI
InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3
Names and Synonyms
- Galaxolide Common Name
- Galaxolide Synonym
- Galaxolide 50 Synonym
- Pearlide Synonym
- Abbalide Synonym
- HHCB Synonym
- Galaxolide 50BB Synonym
- Galaxolide 50IPM Synonym
- Galaxolide White Synonym
- 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane Synonym
- 1,3,4,6,7,8-Hexahydro-4,6,6,8,8,8-hexamethylcyclopenta-2-benzopyran Synonym
- 4,6,6,7,8,8-Hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene Synonym
- Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl- Synonym
- 1,3,4,6,7,8-Hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyran Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 258.41 g/mol | CAS Common Chemistry |
| 258.405 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Galaxolide | CAS Common Chemistry |
| Canonical SMILES | O1CC=2C=C3C(=CC2C(C)C1)C(C)(C)C(C)C3(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ONKNPOPIGWHAQC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Galaxolide | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 9.23 Ų | RDKit |
| LogP | 4.525200000000004 | RDKit |
| 4.5252 | RDKit | |
| Molar Refractivity | 79.72900000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 258.198365452 g/mol | RDKit |
| Boiling Point | 129 °C @ 0.8 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 = 258.41 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H26O.
