Basic information
- CAS
959110-91-9- Standard SMILES
CC(C)=C(C#CC1(C)CCC1=O)C(C)C- InChIKey
RLMQWGSUQMGDGC-UHFFFAOYSA-N- Molecular formula
- C14H20O
- Average molar mass
- 204.31 g/mol
- Monoisotopic mass
- 204.15141526
Overview
2-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methyl-cyclobutanone has been reported in Atractylodes macrocephala with data available.
Names & identifiers
- Preferred name
- 2-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methyl-cyclobutanone
- IUPAC
- 2-methyl-2-(4-methyl-3-propan-2-ylpent-3-en-1-ynyl)cyclobutan-1-one
Names & synonyms
2-(3-Isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methyl-cyclobutanoneRLMQWGSUQMGDGC-UHFFFAOYSA-NDTXSID5013672562-(3-isopropyl-4-methylpent-3-en-1-ynyl)-2-methylcyclobutane2-(3-Isopropyl-4-methyl-3-penten-1-ynyl)-2-methylcyclobutanone #2-(3-isopropyl-4-methyl-pent-3-en-1-ynyl)-2-methylcyclobutanoneCyclobutanone, 2-methyl-2-[4-methyl-3-(1-methylethylidene)-1-pentyn-1-yl]-959110-91-9
Database identifiers
- CAS
959110-91-9- PubChem CID
- 590280
- DTXSID
DTXSID501367256
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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