Basic information
- CAS
2753-03-9- Standard SMILES
CC(=O)C(CC=C(C)C)CC=C(C)C- InChIKey
XQRBPMRCHFTCNL-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-
- IUPAC
- 6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-one
- English name
- 3-(3-Methyl-2-butenyl)-6-methyl-5-hepten-2-one
- Molecular formula
- C13H22O
- Molecular weight
- 194.31
Names & synonyms
5-Hepten-2-one, 6-methyl-3-(3-methyl-2-butenyl)-2,7-Nonadiene,2,8-dimethyl-5-acetyl-DTXSID60626245-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-RefChem:303258DTXCID20376896-methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one2753-03-93-(3-Methyl-2-butenyl)-6-methyl-5-hepten-2-one6-methyl-3-(3-methylbut-2-enyl)hept-5-en-2-oneXQRBPMRCHFTCNL-UHFFFAOYSA-NSTL372758
Show more names
AKOS006273950
Database identifiers
- CAS
2753-03-9- PubChem CID
- 75984
- DTXSID
DTXSID6062624- Nikkaji
- J24.204G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 131 °C · 131 °C(Press: 20 Torr)
- Density
- 0.854 · 0.854±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 5 · 5-Hepten-2-one, 6-methyl-3-(3-methyl-2-butenyl)- (2753-03-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Hepten-2-one, 6-methyl-3-(3-methyl-2-buten-1-yl)-: INACTIVE
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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