Basic information
- CAS
121625-72-7- Standard SMILES
Cc1c(CC(=O)O)c2c(n1CC(C)C)CC(C)(C)CC2=O- InChIKey
VTUCUFBISPCBQM-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid
- IUPAC
- 2-[2,6,6-trimethyl-1-(2-methylpropyl)-4-oxo-5,7-dihydroindol-3-yl]acetic acid
- English name
- 1-isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acid
- Molecular weight
- 0
Names & synonyms
121625-72-71-Isobutyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-3-indoleacetic acidDTXSID00153323C-9001-GON(1)-(isobutyl)-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindole-3-acetic acidRefChem:76113DTXCID5075814C 9001-GOBRN 50704981-(2-Methylpropyl)-4-oxo-2,6,6-trimethyl-4,5,6,7-tetrahydro-1H-indol-3-acetic acid4,5,6,7-Tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-1H-indol-3-acetic acid1H-Indole-3-acetic acid, 4,5,6,7-tetrahydro-1-(2-methylpropyl)-4-oxo-2,6,6-trimethyl-
Show more names
[2,6,6-Trimethyl-1-(2-methylpropyl)-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl]acetic acid
Database identifiers
- CAS
121625-72-7- PubChem CID
- 129462
- DTXSID
DTXSID00153323
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 430
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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