Basic information
- CAS
121625-71-6- Standard SMILES
CCCCn1c(C)c(CC(=O)O)c2c1CC(C)(C)CC2=O- InChIKey
SASMKVAGXNJWKP-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
- C 8778-GO
- IUPAC
- 2-(1-butyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-3-yl)acetic acid
Names & synonyms
121625-71-6C 8778-GO4,5,6,7-Tetrahydro-1-butyl-4-oxo-2,6,6-trimethyl-indole-3-acetic acidVKF96B465ZC-8778-GODTXSID401533221H-Indole-3-acetic acid, 4,5,6,7-tetrahydro-1-butyl-4-oxo-2,6,6-trimethyl-RefChem:122465DTXCID0075813N(1)-(n-butyl)-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindole-3-acetic acidBRN 5070903UNII-VKF96B465Z
Show more names
(1-Butyl-2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid1H-INDOLE-3-ACETIC ACID, 1-BUTYL-4,5,6,7-TETRAHYDRO-2,6,6-TRIMETHYL-4-OXO-
Database identifiers
- CAS
121625-71-6- PubChem CID
- 129461
- DTXSID
DTXSID40153322- UNII
- VKF96B465Z
- Nikkaji
- J1.594.102B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…