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

C7H14O3 — CID 59996451

IUPAC(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
SMILESCC[C@H]1O[C@@H](C)[C@@H](O)C1O
InChIInChI=1S/C7H14O3/c1-3-5-7(9)6(8)4(2)10-5/h4-9H,3H2,1-2H3/t4-,5+,6+,7?/m0/s1
InChIKeyIKWGMWCLSWCFLE-CUWOBHIPSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds1

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

(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol (PubChem CID 59996451) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
PubChem CID59996451
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
SMILESCC[C@H]1O[C@@H](C)[C@@H](O)C1O
InChIInChI=1S/C7H14O3/c1-3-5-7(9)6(8)4(2)10-5/h4-9H,3H2,1-2H3/t4-,5+,6+,7?/m0/s1
InChIKeyIKWGMWCLSWCFLE-CUWOBHIPSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
CID 163662834
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,6R)-2-methyl-6-propyloxane-3,4,5-triol
CID 147741789
(2S,3R,5S)-2-(chloromethyl)-5-methyloxolane-3,4-diol
CID 88976562
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol (CID 59996451) is (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol is CC[C@H]1O[C@@H](C)[C@@H](O)C1O.
What is the InChIKey of (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol?
The InChIKey is IKWGMWCLSWCFLE-CUWOBHIPSA-N. The full InChI is InChI=1S/C7H14O3/c1-3-5-7(9)6(8)4(2)10-5/h4-9H,3H2,1-2H3/t4-,5+,6+,7?/m0/s1.
What are the key properties of (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol?
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol is sourced from PubChem (CID 59996451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).