(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol

C13H24O4 — CID 53305213

IUPAC(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol
SMILESC=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)O)O1
InChIInChI=1S/C13H24O4/c1-4-5-11-6-7-12(16-9-15-3)13(17-11)8-10(2)14/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12-,13+/m0/s1
InChIKeyQVGZVZFITFRIFS-QNWHQSFQSA-N
MW244.33 g/mol
LogP1.87
Rot. Bonds7

About (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol

(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol (PubChem CID 53305213) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol
PubChem CID53305213
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol
SMILESC=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)O)O1
InChIInChI=1S/C13H24O4/c1-4-5-11-6-7-12(16-9-15-3)13(17-11)8-10(2)14/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12-,13+/m0/s1
InChIKeyQVGZVZFITFRIFS-QNWHQSFQSA-N
XLogP1.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 9996876
(2R,3R,5R,6S)-2-but-3-enoxy-6-methyloxane-3,5-diol
CID 44143720
(3R,4S,5R,6R)-4-(dodec-11-enyloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,3,5-triol
CID 44408183
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(pentadec-14-enyloxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 44408187
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(non-8-enyloxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 44408297
(3R,4S,5R,6R)-4-(dec-9-enyloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,3,5-triol
CID 44408299
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(2-(non-8-enyloxy)ethoxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 44408303
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(undec-10-enyloxy)-tetrahydro-2H-pyran-3,4,5-triol
CID 44442293
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(undec-10-enyloxy)-tetrahydro-2H-pyran-3,4,5-triol
CID 44442294
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol
CID 154584306
1-Ethoxybutyl-3-enyl-glucopyranoside
CID 195886
(4R,5R,6R)-2,2,4-trimethyl-6-prop-2-enyl-1,3-dioxan-5-ol
CID 71573609

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol (CID 53305213) is (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol is C=CC[C@@H]1CC[C@H](OCOC)[C@@H](C[C@H](C)O)O1.
What is the InChIKey of (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol?
The InChIKey is QVGZVZFITFRIFS-QNWHQSFQSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-5-11-6-7-12(16-9-15-3)13(17-11)8-10(2)14/h4,10-14H,1,5-9H2,2-3H3/t10-,11+,12-,13+/m0/s1.
What are the key properties of (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol?
(2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol has a molecular weight of 244.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]propan-2-ol is sourced from PubChem (CID 53305213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).