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

C7H12O3 — CID 11008031

IUPAC(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=C[C@H](O)[C@H](C)O1
InChIInChI=1S/C7H12O3/c1-5-6(8)3-4-7(9-2)10-5/h3-8H,1-2H3/t5-,6-,7+/m0/s1
InChIKeyBPAHQTJCFQUBHC-LYFYHCNISA-N
MW144.17 g/mol
LogP0.29
Rot. Bonds1

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

(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol (PubChem CID 11008031) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
PubChem CID11008031
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@H]1C=C[C@H](O)[C@H](C)O1
InChIInChI=1S/C7H12O3/c1-5-6(8)3-4-7(9-2)10-5/h3-8H,1-2H3/t5-,6-,7+/m0/s1
InChIKeyBPAHQTJCFQUBHC-LYFYHCNISA-N
XLogP0.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

beta-D-erythro-Hex-2-enopyranose, 1,6-anhydro-2,3-dideoxy-
CID 10942437
ethyl 2,3-dideoxy-D-hex-2-enopyranoside
CID 97305
(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)methanol
CID 13011793
6-Ethoxy-3,6-dihydro-3-hydroxy-2H-pyran-2-methanol
CID 271273
(2R,3S,6S)-2-(hydroxymethyl)-6-isopentyloxy-3,6-dihydro-2H-pyran-3-ol
CID 54580323
1,6-anhydro-3,4-dideoxy-beta-D-threo-hex-3-enopyranose
CID 11804774
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
6-hex-5-enoxy-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 388311
2-(hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 360943
(6R)-5,5-difluoro-6-(hydroxymethyl)-2,6-dihydropyran-2-ol
CID 131180664
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3R,6R)-2,6-dimethyl-3,6-dihydro-2H-pyran-3-ol
CID 10630501

Frequently Asked Questions

What is the IUPAC name of (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol (CID 11008031) is (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol is CO[C@H]1C=C[C@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is BPAHQTJCFQUBHC-LYFYHCNISA-N. The full InChI is InChI=1S/C7H12O3/c1-5-6(8)3-4-7(9-2)10-5/h3-8H,1-2H3/t5-,6-,7+/m0/s1.
What are the key properties of (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol?
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 144.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 11008031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).