1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone

C9H14O2 — CID 15200904

IUPAC1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(C)=C[C@@H](C)O1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)11-9(5-6)8(3)10/h4,7,9H,5H2,1-3H3/t7-,9+/m1/s1
InChIKeyKFXVDTCSSLAXBH-APPZFPTMSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds1

About 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone

1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone (PubChem CID 15200904) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
PubChem CID15200904
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(C)=C[C@@H](C)O1
InChIInChI=1S/C9H14O2/c1-6-4-7(2)11-9(5-6)8(3)10/h4,7,9H,5H2,1-3H3/t7-,9+/m1/s1
InChIKeyKFXVDTCSSLAXBH-APPZFPTMSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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

(2S)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 11018871
4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 21627998
1-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]ethanone
CID 11182856
6-Acetyl-2,3,6-trimethyl-5,6-dihydropyran
CID 129792870
1-[(E)-3-methylhex-2-enoxy]butan-2-one
CID 134896029
(2R)-4-methyl-3,6-dihydro-2H-pyran-2-carbaldehyde
CID 5325609
ethyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 10749668
Methyl 4-methyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 15200909
1-(4-methyl-3,6-dihydro-2H-pyran-6-yl)propan-2-one
CID 12669032
1-(2-Acetyl-3,6-dimethyl-2,5-dihydropyran-6-yl)propane-1,2-dione
CID 19431999
1-(3,6-dihydro-2H-pyran-2-yl)ethanone
CID 20692457
1-(5-methyl-3,6-dihydro-2H-pyran-2-yl)ethanone
CID 21986131

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone (CID 15200904) is 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone is CC(=O)[C@@H]1CC(C)=C[C@@H](C)O1.
What is the InChIKey of 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
The InChIKey is KFXVDTCSSLAXBH-APPZFPTMSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)11-9(5-6)8(3)10/h4,7,9H,5H2,1-3H3/t7-,9+/m1/s1.
What are the key properties of 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone?
1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-4,6-dimethyl-3,6-dihydro-2H-pyran-2-yl]ethanone is sourced from PubChem (CID 15200904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).