Basic information
- CAS
488-97-1- Standard SMILES
CC1(C)C2CC3C1C3(C)C2- InChIKey
NZXWDTCLMXDSHY-UHFFFAOYSA-N- Molecular formula
- C10H16
- Average molar mass
- 136.23 g/mol
- Monoisotopic mass
- 136.12520051
Overview
1,3,3-trimethyltricyclo[2.2.1.0²,⁶]heptane has been reported in Ocimum basilicum and Chrysanthemum indicum with data available.
Names & identifiers
- Preferred name
- Cyclofenchene
- IUPAC
- 1,3,3-trimethyltricyclo[2.2.1.02,6]heptane
- English name
- 1,3,3-trimethyltricyclo[2.2.1.02,6]heptane
- Molecular formula
- C10H16
- Molecular weight
- 136.24
Names & synonyms
Cyclofenchene1,3,3-Trimethyltricyclo[2.2.1.02,6]heptaneEINECS 207-690-41,3,3-Trimethyltricyclo(2.2.1.02,6)heptaneAI3-26470Tricyclo[2.2.1.02,6]heptane, 1,3,3-trimethyl-Tricyclo(2.2.1.02,6)heptane, 1,3,3-trimethyl-RefChem:129480207-690-4NZXWDTCLMXDSHY-UHFFFAOYSA-N488-97-1Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl-
Show more names
Cyclofeuchene
Tricyclo(2.2.1.0(2,6))heptane, 1,3,3-trimethyl-SCHEMBL21925072DTXSID70870555NS000433891,3,3-trimethyltricyclo[2,2,1,0 2,6]heptane1,3,3-trimethyltricyclo[2.2.1.02,6]-heptane1,3,3-Trimethyltricyclo[2.2.1.0~2,6~]heptane
Database identifiers
- CAS
488-97-1- PubChem CID
- 79022
- DTXSID
DTXSID70870555- EC Number
- 207-690-4
- Nikkaji
- J101.198G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 185.55 °C · 185.55°C (rough estimate)
- Density
- 0.859 · 0.8590
- refractive index
- 1.4503 · 1.4503
- LogP
- 3.975 · 3.975 (est)
Chemistry & industry
Suppliers2 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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