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

C10H16O3 — CID 102514102

IUPAC(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1
InChIInChI=1S/C10H16O3/c1-3-8(11)9-6-5-7-10(13-9)12-4-2/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9-,10+/m1/s1
InChIKeyUCQWUFLTJRILLI-BBBLOLIVSA-N
MW184.23 g/mol
LogP1.24
Rot. Bonds4

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

(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol (PubChem CID 102514102) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
PubChem CID102514102
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
SMILESC=C[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1
InChIInChI=1S/C10H16O3/c1-3-8(11)9-6-5-7-10(13-9)12-4-2/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9-,10+/m1/s1
InChIKeyUCQWUFLTJRILLI-BBBLOLIVSA-N
XLogP1.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.24
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
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
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

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol (CID 102514102) is (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol is C=C[C@@H](O)[C@H]1C=CC[C@@H](OCC)O1.
What is the InChIKey of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol?
The InChIKey is UCQWUFLTJRILLI-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(11)9-6-5-7-10(13-9)12-4-2/h3,5-6,8-11H,1,4,7H2,2H3/t8-,9-,10+/m1/s1.
What are the key properties of (1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol?
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol has a molecular weight of 184.23 g/mol, XLogP of 1.24, 4 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]prop-2-en-1-ol is sourced from PubChem (CID 102514102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).