3,3,5,5-tetramethyl-8-(3-methylbutyl)-6,7-dihydro-2H-s-indacen-1-one

HCID 620455

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 55712-64-6
Standard SMILES: CC(C)CCc1c2c(cc3c1C(=O)CC3(C)C)C(C)(C)CC2
InChIKey: KENFCAKQHPCTTO-UHFFFAOYSA-N
Molecular formula: C21H30O
Average molar mass: 298.5 g/mol
Monoisotopic mass: 298.22966558

Names & identifiers

Preferred name: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-6,7-dihydro-2H-s-indacen-1-one
IUPAC: 3,3,5,5-tetramethyl-8-(3-methylbutyl)-6,7-dihydro-2H-s-indacen-1-one
English name: 3,5,6,7-Tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-s-indacen-1(2H)-one
Molecular formula: C21H30O
Molecular weight: 298.46

Names & synonyms

DTXSID103473523,3,5,5-tetramethyl-8-(3-methylbutyl)-6,7-dihydro-2H-s-indacen-1-one55712-64-6RefChem:270102DTXCID40298424KENFCAKQHPCTTO-UHFFFAOYSA-Ns-Indacen-1(2H)-one, 3,5,6,7-tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-3,3,5,5-Tetramethyl-8-(3-methylbutyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one8-Isopentyl-3,3,5,5-tetramethyl-3,5,6,7-tetrahydro-S-indacen-1(2H)-one #3,5,6,7-Tetrahydro-3,3,5,5-tetramethyl-8-(3-methylbutyl)-s-indacen-1(2H)-one

Database identifiers

CAS: 55712-64-6
PubChem CID: 620455
DTXSID: DTXSID10347352
Nikkaji: J108.928E

Properties

Computed structural properties

XLogP: 6.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 445

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…