(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol

C10H20O3 — CID 162963121

IUPAC(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
SMILESCCC[C@@H]1O[C@H](O)[C@@](C)(O)[C@@H]1CC
InChIInChI=1S/C10H20O3/c1-4-6-8-7(5-2)10(3,12)9(11)13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9+,10+/m1/s1
InChIKeyFSFWUMOVZGOJDP-KATARQTJSA-N
MW188.27 g/mol
LogP1.28
Rot. Bonds3

About (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol

(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol (PubChem CID 162963121) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
PubChem CID162963121
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
SMILESCCC[C@@H]1O[C@H](O)[C@@](C)(O)[C@@H]1CC
InChIInChI=1S/C10H20O3/c1-4-6-8-7(5-2)10(3,12)9(11)13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9+,10+/m1/s1
InChIKeyFSFWUMOVZGOJDP-KATARQTJSA-N
XLogP1.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4S,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol
CID 101472983
(4S,5R)-5-ethyl-4-fluoro-3-methyloxolane-2,3-diol
CID 122450260
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
2-(chloromethyl)-3-propyloxirane
CID 18324215
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
1,2-diethyl-1-methyl-3-propylcyclopropane
CID 90731440
1-(3-propyloxiran-2-yl)pentan-2-ol
CID 174645747
(3S,3aS,4S,6aR)-3-propyl-3,3a,4,6-tetrahydro-1H-furo[3,4-c]furan-4,6a-diol
CID 101357742
(2R,3R)-3-propyloxirane-2-carbaldehyde
CID 101237657
(2R,3S)-2-butyl-3-propyloxirane
CID 13394975
(3aR,6R,6aR)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10487850
(2R,3R,4S,5S)-3-(hydroxymethyl)-2-[(E)-prop-1-enyl]-5-propyloxolane-3,4-diol
CID 163137514

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol?
The IUPAC name of (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol (CID 162963121) is (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol.
What is the SMILES notation for (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol?
The canonical SMILES for (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol is CCC[C@@H]1O[C@H](O)[C@@](C)(O)[C@@H]1CC.
What is the InChIKey of (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol?
The InChIKey is FSFWUMOVZGOJDP-KATARQTJSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-6-8-7(5-2)10(3,12)9(11)13-8/h7-9,11-12H,4-6H2,1-3H3/t7-,8+,9+,10+/m1/s1.
What are the key properties of (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol?
(2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol has a molecular weight of 188.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-4-ethyl-3-methyl-5-propyloxolane-2,3-diol is sourced from PubChem (CID 162963121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).