(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol

C9H16O3 — CID 46186038

IUPAC(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
SMILESCCO[C@@H]1CC=C[C@H]([C@@H](C)O)O1
InChIInChI=1S/C9H16O3/c1-3-11-9-6-4-5-8(12-9)7(2)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyLJUZSDPRWREKIO-HLTSFMKQSA-N
MW172.22 g/mol
LogP1.07
Rot. Bonds3

About (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol

(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol (PubChem CID 46186038) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
PubChem CID46186038
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol
SMILESCCO[C@@H]1CC=C[C@H]([C@@H](C)O)O1
InChIInChI=1S/C9H16O3/c1-3-11-9-6-4-5-8(12-9)7(2)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyLJUZSDPRWREKIO-HLTSFMKQSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.07
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

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
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
1,3-Dioxan-5-ol, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-
CID 6437337
2H-Pyran-2-methanol, 3,6-dihydro-3-hydroxy-6-(1-methylethoxy)-
CID 546113
(2S,3S,6R)-6-methoxy-2-methyl-3,6-dihydro-2H-pyran-3-ol
CID 11008031
1-(2,5-Dimethoxy-2,5-dihydrofuran-2-yl)ethanol
CID 2733895
5-Hydroxy-2-methoxy-5,6-dihydro-2h-pyran
CID 11400783
[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]methanol
CID 11788550

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol?
The IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol (CID 46186038) is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol is CCO[C@@H]1CC=C[C@H]([C@@H](C)O)O1.
What is the InChIKey of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol?
The InChIKey is LJUZSDPRWREKIO-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-11-9-6-4-5-8(12-9)7(2)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8-,9+/m1/s1.
What are the key properties of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol?
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol has a molecular weight of 172.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]ethanol is sourced from PubChem (CID 46186038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).