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P-Menthane
CAS: 99-82-1 | C10H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
99-82-1
Molecular Formula:
C10H20
Molecular Weight:
140.26999999999998 g/mol
Names and Synonyms:
P-Menthane
1-Methyl-4-propan-2-ylcyclohexane
Woody River 10
4-Methyl-1-(1-methylethyl)cyclohexane
1-Methyl-4-isopropylcyclohexane
1-Isopropyl-4-methylcyclohexane
1-Methyl-4-(1-methylethyl)cyclohexane
p-Menthane
Cyclohexane, 1-methyl-4-(1-methylethyl)-
Identifiers:
SMILES:
CC1CCC(C(C)C)CC1
InChI:
InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 140.27 g/mol | Legacy Database |
| density | 0.80 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/P-Menthane None | Legacy Database |
| cas-boiling-point | 170.9 °C @ Press: 725 Torr None | Legacy Database |
| cas-canonical-smile | CC(C)C1CCC(C)CC1 None | Legacy Database |
| cas-density | 0.8039 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H20/c1-8(2)10-6-4-9(3)5-7-10/h8-10H,4-7H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=CFJYNSNXFXLKNS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -89.84 °C None | Legacy Database |
| cas-name | 1-Isopropyl-4-methylcyclohexane None | Legacy Database |
| wikipedia-name | p-Menthane None | Legacy Database |
| LogP | 3.468700000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 140.26999999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.15650064 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 45.96000000000002 | RDKit |
