Basic information
- CAS
23757-24-6- Standard SMILES
CC(C)c1cc2c(c(C(C)C)c1O)C(C)(C)CC2- InChIKey
UYWDZENSLVNYKE-UHFFFAOYSA-N- Molecular formula
- C17H26O
- Average molar mass
- 246.4 g/mol
- Monoisotopic mass
- 246.19836545
Overview
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Names & identifiers
- Preferred name
- 4,6-Bis(isopropyl)-3,3-dimethylindan-5-ol
- IUPAC
- 3,3-dimethyl-4,6-di(propan-2-yl)-1,2-dihydroinden-5-ol
- English name
- 4,6-bis(isopropyl)-3,3-dimethylindan-5-ol
- Molecular formula
- C17H26O
- Molecular weight
- 246.39
Names & synonyms
23757-24-64,6-Bis(isopropyl)-3,3-dimethylindan-5-olEINECS 245-867-8SCHEMBL11647721SCHEMBL30005309DTXSID90178424UYWDZENSLVNYKE-UHFFFAOYSA-NNS000274783,3-Dimethyl-4,6-di(propan-2-yl)-2,3-dihydro-1H-inden-5-ol1H-Inden-5-ol, 2,3-dihydro-3,3-dimethyl-4,6-bis(1-methylethyl)-
Database identifiers
- CAS
23757-24-6- PubChem CID
- 90248
- DTXSID
DTXSID90178424- EC Number
- 245-867-8
- Nikkaji
- J242.670F
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 99 · 99-100 °C
- Boiling point
- 322.6 · 322.6±31.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 11.44 · 11.44±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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