(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)oxirane

HCID 14726539

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(C)CCC(C)(C)c2cc(C3CO3)ccc21
InChIKey: UQVCECMQCKGSNN-UHFFFAOYSA-N
Molecular formula: C16H22O
Average molar mass: 230.34 g/mol

Names & identifiers

Preferred name: (5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)oxirane
IUPAC: 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)oxirane

Names & synonyms

SCHEMBL9183823UQVCECMQCKGSNN-UHFFFAOYSA-N(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-oxirane(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)oxirane

Database identifiers

PubChem CID: 14726539

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 305

Related reactions

12 records

New reaction record

HRID 184578As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 346285As reactantuspto-grants-1991_10

HRID 346286As productuspto-grants-1991_10

HRID 687751As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 832819As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1591125As productuspto-grants-1993_04

HRID 1591126As reactantuspto-grants-1993_04

HRID 1614398As reactantuspto-grants-1993_03

Compound notes

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