Basic information
- CAS
5739-17-3- Standard SMILES
CCCCCC1=C(C)C(=O)CC1- InChIKey
NEZHCMOOOIHCJA-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- 2-Cyclopenten-1-one, 2-methyl-3-pentyl-
- IUPAC
- 2-methyl-3-pentylcyclopent-2-en-1-one
- English name
- 2-methyl-3-pentylcyclopent-2-en-1-one
- Molecular formula
- C11H18O
- Molecular weight
- 166.26002
Names & synonyms
2-Cyclopenten-1-one, 2-methyl-3-pentyl-2-Methyl-3-pentyl-2-cyclopenten-1-one5739-17-3D4SQ3W3AR2AI3-242692-methyl-3-pentyl-2-cyclopentenoneEINECS 227-252-6UNII-D4SQ3W3AR2ISOJASMONE, DIHYDRO-DTXSID5063996RefChem:86640DTXCID3042211
Show more names
3-Pentyl-2-methyl-2-cyclopentene-1-one
227-252-6NEZHCMOOOIHCJA-UHFFFAOYSA-N2-Methyl-3-pentylcyclopent-2-en-1-oneSCHEMBL41990132-methyl-3-pentylcyclopent-2-enoneAKOS0062721642-Methyl-3-pentyl-2-cyclopenten-1-one #NS00033708
Database identifiers
- CAS
5739-17-3- PubChem CID
- 79817
- DTXSID
DTXSID5063996- UNII
- D4SQ3W3AR2
- EC Number
- 227-252-6
- Nikkaji
- J47.233F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 130 · 130-135 °C(Press: 3 Torr)
- Density
- 0.926 g/cm3 · 0.9260 g/cm3
- LogP
- 2.754 · 2.754 (est)
- FDA UNII
- 4 SQ3W3AR2 · D4SQ3W3AR2
- EPA Substance Registry System
- 2 · 2-Cyclopenten-1-one, 2-methyl-3-pentyl- (5739-17-3)
- 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 Information2-Cyclopenten-1-one, 2-methyl-3-pentyl-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
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