[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol

C8H14O4 — CID 100953549

IUPAC[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCO[C@@H]1O[C@@H](CO)C=C[C@H]1OC
InChIInChI=1S/C8H14O4/c1-10-7-4-3-6(5-9)12-8(7)11-2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyNDSNGRXARIVIFQ-BWZBUEFSSA-N
MW174.20 g/mol
LogP-0.08
Rot. Bonds3

About [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol

[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol (PubChem CID 100953549) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
PubChem CID100953549
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol
SMILESCO[C@@H]1O[C@@H](CO)C=C[C@H]1OC
InChIInChI=1S/C8H14O4/c1-10-7-4-3-6(5-9)12-8(7)11-2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-/m1/s1
InChIKeyNDSNGRXARIVIFQ-BWZBUEFSSA-N
XLogP-0.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]methanol
CID 68500076
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
[6-(azidomethyl)-2-methoxy-3,6-dihydro-2H-pyran-3-yl] benzoate
CID 134865110
(6-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 146644669
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
[(1S,2S,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 98058853
[(1R,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 11147798
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
[(1S,2R,4R,5R)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 124541021

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol?
The IUPAC name of [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol (CID 100953549) is [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol.
What is the SMILES notation for [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol?
The canonical SMILES for [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol is CO[C@@H]1O[C@@H](CO)C=C[C@H]1OC.
What is the InChIKey of [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol?
The InChIKey is NDSNGRXARIVIFQ-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H14O4/c1-10-7-4-3-6(5-9)12-8(7)11-2/h3-4,6-9H,5H2,1-2H3/t6-,7-,8-/m1/s1.
What are the key properties of [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol?
[(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol has a molecular weight of 174.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-2,3-dimethoxy-3,6-dihydro-2H-pyran-6-yl]methanol is sourced from PubChem (CID 100953549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).