1,1,5-Trimethylindan

HCID 589447
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Basic information

CAS
40650-41-7
Standard SMILES
Cc1ccc2c(c1)CCC2(C)C
InChIKey
JIHZHLCOASGNCG-UHFFFAOYSA-N
Molecular formula
C12H16
Average molar mass
160.25 g/mol
Monoisotopic mass
160.12520051

Names & identifiers

Preferred name
1,1,5-Trimethylindan
IUPAC
3,3,6-trimethyl-1,2-dihydroindene
English name
2,3-Dihydro-1,1,5-trimethyl-1H-indene
Molecular formula
C12H16
Molecular weight
160.26

Names & synonyms

1,1,5-Trimethylindan40650-41-71H-Indene, 2,3-dihydro-1,1,5-trimethyl-2,3-Dihydro-1,1,5-trimethyl-1H-indeneDTXSID90343392RefChem:70976DTXCID50294472JIHZHLCOASGNCG-UHFFFAOYSA-N1,1,5-Trimethylindane1,1,5-trimethyl-2,3-dihydro-1H-indene1,1,5-trimethyl-indane1,1,5-Trimethylindane #
Show more names
SCHEMBL5763435SCHEMBL29959514Q63409051

Database identifiers

CAS
40650-41-7
PubChem CID
589447
DTXSID
DTXSID90343392
Nikkaji
J47.688I

Properties

Computed structural properties

XLogP
4
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point
246.18 °C · 246.18°C (rough estimate)
Density
0.9119 · 0.9119
refractive index
1.5126 · 1.5126

Related reactions

2 records
New reaction record

Compound notes

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