3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene
Basic information
- CAS
97844-14-9- Standard SMILES
CC1=CC=C2C(C)(C)CC=CC12C- InChIKey
XOFDOXJFXCEFDE-UHFFFAOYSA-N- Molecular formula
- C13H18
- Average molar mass
- 174.28 g/mol
- Monoisotopic mass
- 174.14085057
Overview
5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene is a hydrocarbon.
Names & identifiers
- Preferred name
- 3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene
- IUPAC
- 1,4,4,7a-tetramethyl-5H-indene
Names & synonyms
3,3a,7,7-tetramethyl-6,7-dihydro-3aH-indene5,7alpha-Dihydro-1,4,4,7a-tetramethyl-4H-indene4H-Indene, 5,7a-dihydro-1,4,4,7a-tetramethyl-1,4,4,7a-tetramethyl-5H-indene97844-14-9SCHEMBL10933524DTXSID70336060CHEBI:191488XOFDOXJFXCEFDE-UHFFFAOYSA-N2,2,6,7-tetramethylbicyclo[4.3.0]nona-4,7,9(1)-triene5,7alpha-Dihydro-1,4,4,7alpha-tetramethyl-4H-indene2,2,6,7-tetramethylbicyclo-[4.3.0]nona-4,7,9(1)-triene
Show more names
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4,7-triene
Database identifiers
- CAS
97844-14-9、99901-21-0- PubChem CID
- 528761
- DTXSID
DTXSID70336060- ChEBI
CHEBI:191488- Nikkaji
- J2.368.968E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 326
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
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Related reactions
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Compound notes
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