1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone

C10H16O2 — CID 11182856

IUPAC1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC[C@H]1O[C@@H](C(C)=O)CC=C1C
InChIInChI=1S/C10H16O2/c1-4-9-7(2)5-6-10(12-9)8(3)11/h5,9-10H,4,6H2,1-3H3/t9-,10-/m1/s1
InChIKeyCETYMYKXBKHWFF-NXEZZACHSA-N
MW168.24 g/mol
LogP2.09
Rot. Bonds2

About 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone

1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone (PubChem CID 11182856) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
PubChem CID11182856
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC[C@H]1O[C@@H](C(C)=O)CC=C1C
InChIInChI=1S/C10H16O2/c1-4-9-7(2)5-6-10(12-9)8(3)11/h5,9-10H,4,6H2,1-3H3/t9-,10-/m1/s1
InChIKeyCETYMYKXBKHWFF-NXEZZACHSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 129792870
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CID 134987735
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CID 134995940
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CID 178338219
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CID 178338221
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CID 144482396
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CID 5325609
CID 5325609

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The IUPAC name of 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone (CID 11182856) is 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The canonical SMILES for 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone is CC[C@H]1O[C@@H](C(C)=O)CC=C1C.
What is the InChIKey of 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The InChIKey is CETYMYKXBKHWFF-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-9-7(2)5-6-10(12-9)8(3)11/h5,9-10H,4,6H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone has a molecular weight of 168.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone is sourced from PubChem (CID 11182856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).