(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran

C7H12O2 — CID 131854714

IUPAC(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1C=CC[C@H](C)O1
InChIInChI=1S/C7H12O2/c1-6-4-3-5-7(8-2)9-6/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1
InChIKeyBLKWOVRREZIAMR-BQBZGAKWSA-N
MW128.17 g/mol
LogP1.32
Rot. Bonds1

About (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran

(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran (PubChem CID 131854714) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
PubChem CID131854714
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran
SMILESCO[C@@H]1C=CC[C@H](C)O1
InChIInChI=1S/C7H12O2/c1-6-4-3-5-7(8-2)9-6/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1
InChIKeyBLKWOVRREZIAMR-BQBZGAKWSA-N
XLogP1.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran (CID 131854714) is (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran is CO[C@@H]1C=CC[C@H](C)O1.
What is the InChIKey of (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
The InChIKey is BLKWOVRREZIAMR-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H12O2/c1-6-4-3-5-7(8-2)9-6/h3,5-7H,4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran?
(2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran has a molecular weight of 128.17 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 131854714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).