(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol

C10H18O3 — CID 134860644

IUPAC(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol
SMILESC=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O
InChIInChI=1S/C10H18O3/c1-4-8-7(11)6-10(12-3)9(5-2)13-8/h4,7-11H,1,5-6H2,2-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyOWDICQKUBUYLFJ-QCLAVDOMSA-N
MW186.25 g/mol
LogP1.12
Rot. Bonds3

About (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol

(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol (PubChem CID 134860644) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol
PubChem CID134860644
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol
SMILESC=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O
InChIInChI=1S/C10H18O3/c1-4-8-7(11)6-10(12-3)9(5-2)13-8/h4,7-11H,1,5-6H2,2-3H3/t7-,8+,9-,10+/m0/s1
InChIKeyOWDICQKUBUYLFJ-QCLAVDOMSA-N
XLogP1.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.12
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

3-(beta-D-glucopyranosyl)-1-propene
CID 44414214
(2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-enyl)-tetrahydro-2H-pyran-3,4,5-triol
CID 44586823
Deoycjowqngdlq-imsywvgjsa-
CID 11041400
(2R,3S)-2-ethenyloxan-3-ol
CID 11062403
(2S,3R)-2-ethenyloxan-3-ol
CID 11159338
3-(alpha-d-Galactopyranosyl)-1-propene
CID 11687097
2-Ethenyloxan-3-ol
CID 14142047
1-(Oxan-2-yl)prop-2-en-1-ol
CID 121601338
Galactosyl pentadecene
CID 132281348
(2S,3R,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-ol
CID 167099168
(6-Vinyl-tetrahydro-pyran-2-yl)-methanol
CID 14142036
(7-Vinyl-2-oxepanyl)methanol
CID 14142040

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol?
The IUPAC name of (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol (CID 134860644) is (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol.
What is the SMILES notation for (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol?
The canonical SMILES for (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol is C=C[C@H]1O[C@@H](CC)[C@H](OC)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol?
The InChIKey is OWDICQKUBUYLFJ-QCLAVDOMSA-N. The full InChI is InChI=1S/C10H18O3/c1-4-8-7(11)6-10(12-3)9(5-2)13-8/h4,7-11H,1,5-6H2,2-3H3/t7-,8+,9-,10+/m0/s1.
What are the key properties of (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol?
(2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol has a molecular weight of 186.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-2-ethenyl-6-ethyl-5-methoxyoxan-3-ol is sourced from PubChem (CID 134860644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).