6-Ethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene

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Basic information

CAS: 22825-04-3
Standard SMILES: CCOc1ccc2c(c1)C(C)(C)CCC2(C)C
InChIKey: HTQGKKAWAWJVKJ-UHFFFAOYSA-N
Molecular formula: C16H24O
Average molar mass: 232.36 g/mol
Monoisotopic mass: 232.18271539

Names & identifiers

Preferred name: 6-Ethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 6-ethoxy-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
English name: 6-ethoxy-1,1,4,4-tetramethyl-tetralin
Molecular formula: C16H24O
Molecular weight: 0

Names & synonyms

22825-04-36-ethoxy-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthaleneNSC174176-ethoxy-1,1,4,4-tetramethyl-tetralinSCHEMBL5861367DTXSID70280554HTQGKKAWAWJVKJ-UHFFFAOYSA-NNSC-174173-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalene

Database identifiers

CAS: 22825-04-3
PubChem CID: 226705
DTXSID: DTXSID70280554

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 267

Related reactions

2 records

New reaction record

HRID 1744906As reactantuspto-grants-2006_03

HRID 2133482As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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