[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol

C8H13BrO3 — CID 101192067

IUPAC[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCCO[C@H]1C=C[C@H](Br)[C@@H](CO)O1
InChIInChI=1S/C8H13BrO3/c1-2-11-8-4-3-6(9)7(5-10)12-8/h3-4,6-8,10H,2,5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyFWFSAHLNAMQHAZ-XLPZGREQSA-N
MW237.09 g/mol
LogP1.06
Rot. Bonds3

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

[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 101192067) has the molecular formula C8H13BrO3 and a molecular weight of 237.09 g/mol. Its IUPAC name is [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID101192067
Molecular FormulaC8H13BrO3
Molecular Weight237.09 g/mol
Exact Mass236.00
IUPAC Name[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCCO[C@H]1C=C[C@H](Br)[C@@H](CO)O1
InChIInChI=1S/C8H13BrO3/c1-2-11-8-4-3-6(9)7(5-10)12-8/h3-4,6-8,10H,2,5H2,1H3/t6-,7+,8+/m0/s1
InChIKeyFWFSAHLNAMQHAZ-XLPZGREQSA-N
XLogP1.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(6-ethoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl)methanol
CID 70572460
(2R,3S,6S)-2-(azetidin-1-ylmethyl)-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 131852154
(2R,3S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,6-dihydro-2H-pyran-3-ol
CID 11748235
(2S,3R,6S)-6-ethoxy-2-[(2S,3R)-3-methyloxiran-2-yl]-3,6-dihydro-2H-pyran-3-ol
CID 131844419
[(2R,3S,6S)-2-(cyanomethyl)-6-ethoxy-3,6-dihydro-2H-pyran-3-yl] acetate
CID 10242764
(2-ethoxy-5-methoxyimino-2H-pyran-6-yl)methanol
CID 131847214
[(2R,3S,6S)-3-(2-bromoprop-2-enoxy)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10645072
(2R,3S,6R)-6-ethoxy-2-(hydroxymethyl)oxan-3-ol
CID 54321691
2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
(2S,3S,4S,5S,6R)-3-ethoxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 70232316

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol (CID 101192067) is [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol is CCO[C@H]1C=C[C@H](Br)[C@@H](CO)O1.
What is the InChIKey of [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is FWFSAHLNAMQHAZ-XLPZGREQSA-N. The full InChI is InChI=1S/C8H13BrO3/c1-2-11-8-4-3-6(9)7(5-10)12-8/h3-4,6-8,10H,2,5H2,1H3/t6-,7+,8+/m0/s1.
What are the key properties of [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol?
[(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 237.09 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6R)-3-bromo-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 101192067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).