6-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene

HCID 226703

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Basic information

CAS: 22825-12-3
Standard SMILES: COc1cc2c(cc1C)C(C)(C)CCC2(C)C
InChIKey: XVHMNFOYSORWCS-UHFFFAOYSA-N
Molecular formula: C16H24O
Average molar mass: 232.36 g/mol
Monoisotopic mass: 232.18271539

Names & identifiers

Preferred name: 6-Methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthalene
IUPAC: 6-methoxy-1,1,4,4,7-pentamethyl-2,3-dihydronaphthalene

Names & synonyms

22825-12-3NSC17415Naphthalene,1,2,3,4-tetrahydro-6-methoxy-1,1,4,4,7-pentamethyl-6-methoxy-1,1,4,4,7-pentamethyl-1,2,3,4-tetrahydronaphthaleneSCHEMBL8293241DTXSID10280553NSC-17415

Database identifiers

CAS: 22825-12-3
PubChem CID: 226703
DTXSID: DTXSID10280553

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 279

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