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Cashmeran
CAS: 33704-61-9 | C14H22O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33704-61-9
Molecular Formula:
C14H22O
Molecular Mass:
206.33 g/mol
Names and Synonyms:
Cashmeran
4H-Inden-4-one, 1,2,3,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-
4(5H)-Indanone, 6,7-dihydro-1,1,2,3,3-pentamethyl-
1,2,3,5,6,7-Hexahydro-1,1,2,3,3-pentamethyl-4H-inden-4-one
Cashmeran
(±)-Cashmeran
DPMI
6,7-Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone
Musk indanone
1,1,2,3,3-Pentamethyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one
1,1,2,3,3-Pentamethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-one
1,1,2,3,3-Pentamethyl-2,5,6,7-tetrahydroinden-4-one
Identifiers:
SMILES:
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
InChI:
InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
Key Properties
Boiling Point
286.1 °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 | 206.33 g/mol | CAS Common Chemistry |
| 206.32899999999992 g/mol | RDKit | |
| 206.167065324 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cashmeran | CAS Common Chemistry |
| Boiling Point | 286.1 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=C(CCC1)C(C)(C)C(C)C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MIZGSAALSYARKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-Cashmeran | CAS Common Chemistry |
| Cashmeran | CAS Common Chemistry | |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 3.738100000000003 | RDKit |
| Molar Refractivity | 62.61000000000005 | RDKit |
