Basic information
- CAS
4755-83-3- Standard SMILES
CC(=O)c1ccc2c(c1)C(C)(C)C(C)C2(C)C- InChIKey
DALKDFNESXMXHW-UHFFFAOYSA-N- Molecular formula
- C16H22O
- Average molar mass
- 230.34 g/mol
- Monoisotopic mass
- 230.16706532
Names & identifiers
- Preferred name
- 1-(2,3-Dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)ethan-1-one
- IUPAC
- 1-(1,1,2,3,3-pentamethyl-2H-inden-5-yl)ethanone
- English name
- 1-(2,3-dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)ethan-1-one
- Molecular formula
- C16H22O
- Molecular weight
- 230.35
Names & synonyms
4755-83-3EINECS 225-287-11-(2,3-Dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)ethan-1-oneSCHEMBL4407340DTXSID909638721-(1,1,2,3,3-Pentamethyl-2,3-dihydro-1H-inden-5-yl)ethan-1-one5-acetyl-1,1,2,3,3-pentamethyl indaneNS000450771,1,2,3,3-pentamethyl-5-indanyl methyl ketone1-(1,1,2,3,3-pentamethyl-indan-5-yl)-ethanone1-[(2,3-Dihydro-1,1,2,3,3-pentamethyl-1H-inden)-5-yl]ethanoneEthanone, 1-(2,3-dihydro-1,1,2,3,3-pentamethyl-1H-inden-5-yl)-
Database identifiers
- CAS
4755-83-3- PubChem CID
- 107333
- DTXSID
DTXSID90963872- EC Number
- 225-287-1
- Nikkaji
- J262.436B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 324 · 324.0±31.0 °C(Predicted)
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. musk
- Odor Type
- musk
- LogP
- 4.956 · 4.956 (est)
Related reactions
4 records
Compound notes
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