Basic information
- CAS
503-45-7- Standard SMILES
CC1CC=CC(C)(C)C1- InChIKey
GQVLBFQEABXQDC-UHFFFAOYSA-N- Molecular formula
- C9H16
- Average molar mass
- 124.22 g/mol
- Monoisotopic mass
- 124.12520051
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexene
- IUPAC
- 3,3,5-trimethylcyclohexene
- English name
- 3,5,5-Trimethylcyclohexene
- Molecular formula
- C9H16
- Molecular weight
- 124.22
Names & synonyms
3,3,5-TrimethylcyclohexeneCyclohexene, 3,3,5-trimethyl-503-45-73,5,5-Trimethyl-1-cyclohexene9QC8S8X5F0NSC 73959NSC-73959UNII-9QC8S8X5F0DTXSID70883408RefChem:90756DTXCID401022940GQVLBFQEABXQDC-UHFFFAOYSA-N
Show more names
epsilon-Cyclogeraniolene3,5,5-Trimethylcyclohexene3,3,5-Trimethyl-1-cyclohexene
3,3,5-TRIMETHYL CYCLOHEXENE.epsilon.-Cyclogeraniolene3,3,5-trimethylcyclohex-1-eneNSC73959Imicro-cyclogeranioleneCyclohexene,3,5-trimethyl-3,5-Trimethyl-1-cyclohexeneSCHEMBL167344
Database identifiers
- CAS
503-45-7- PubChem CID
- 79031
- DTXSID
DTXSID70883408- UNII
- 9QC8S8X5F0
- Nikkaji
- J114.061B
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- FDA UNII
- 9 QC8S8X5F0 · 9QC8S8X5F0
- EPA Substance Registry System
- 3 · Cyclohexene, 3,3,5-trimethyl- (503-45-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexene, 3,3,5-trimethyl-: ACTIVE
Suppliers2 total
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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