(6S)-6-Methyl-7-(tetrahydro-2H-pyran-2-yloxy)heptan-2-one

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Basic information

CAS: 220775-18-8
Standard SMILES: CC(=O)CCC[C@H](C)COC1CCCCO1
InChIKey: QATYWYWXGPNTNI-AMGKYWFPSA-N
Molecular formula: C13H24O3
Average molar mass: 228.33 g/mol
Monoisotopic mass: 228.17254462

Names & identifiers

Preferred name: (6S)-6-Methyl-7-(tetrahydro-2H-pyran-2-yloxy)heptan-2-one
IUPAC: (6S)-6-methyl-7-(oxan-2-yloxy)heptan-2-one

Names & synonyms

220775-18-8SCHEMBL1037450DTXSID30469601QATYWYWXGPNTNI-AMGKYWFPSA-N(6S)-6-METHYL-7-(TETRAHYDRO-2H-PYRAN-2-YLOXY)HEPTAN-2-ONEAKOS025296218(6S)-6-Methyl-7-[(oxan-2-yl)oxy]heptan-2-one(s)-6-methyl-7-[(rs)-(3,4,5,6-tetrahydro-2h-pyran-2-yl)oxy]heptan-2-one

Database identifiers

CAS: 220775-18-8
PubChem CID: 11622725
DTXSID: DTXSID30469601
Nikkaji: J2.410.572E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 16
Formal charge: 0
Complexity: 203

Related reactions

1 records

New reaction record

HRID 2053402As productuspto-grants-2008_02

Compound notes

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