Basic information
- CAS
4126-78-7- Standard SMILES
CC1CCCCCC1- InChIKey
GYNNXHKOJHMOHS-UHFFFAOYSA-N- Molecular formula
- C8H16
- Average molar mass
- 112.21 g/mol
- Monoisotopic mass
- 112.12520051
Names & identifiers
- Preferred name
- Methylcycloheptane
- IUPAC
- methylcycloheptane
- English name
- 1-Methylcycloheptanol
- Molecular formula
- C8H16
- Molecular weight
- 112.21
Names & synonyms
METHYLCYCLOHEPTANECycloheptane, methyl-4126-78-7DTXSID60194176RefChem:158164DTXCID70116667GYNNXHKOJHMOHS-UHFFFAOYSA-NInChI=1/C8H16/c1-8-6-4-2-3-5-7-8/h8H,2-7H2,1HMethylcycloheptane-d3methyl-cycloheptanestarbld0009059SCHEMBL5188
Show more names
CYCLOHEPTANE,METHYL-1-Methylcycloheptanol1-METHYLCYCLOHEPTANOL-1Methylcycloheptane in cyclohexane
SCHEMBL5189SCHEMBL6524SCHEMBL146969SCHEMBL258196SCHEMBL864214SCHEMBL864234SCHEMBL5379947SCHEMBL11126813
Database identifiers
- CAS
4126-78-7- PubChem CID
- 20082
- DTXSID
DTXSID60194176- Nikkaji
- J133.685A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 49.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 145.2 °C · 145.2°C (rough estimate)
- Density
- 0.8 · 0.8000
- refractive index
- 1.439 · 1.4390
- Henry's Law Constant
- 2.1 · 2.1×10-5 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Chemistry & industry
Applications
Uses1-Methylcycloheptanol can be used in methods for synthesizing radiopharmaceuticals using a cartridge
Upstream & downstream products
Downstream products
Suppliers1 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…