(2R,3R,5S)-5-ethyloxane-2,3-diol

C7H14O3 — CID 163705595

IUPAC(2R,3R,5S)-5-ethyloxane-2,3-diol
SMILESCC[C@@H]1CO[C@@H](O)[C@H](O)C1
InChIInChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)10-4-5/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyKEUAOEBAVQLNHF-RRKCRQDMSA-N
MW146.19 g/mol
LogP0.11
Rot. Bonds1

About (2R,3R,5S)-5-ethyloxane-2,3-diol

(2R,3R,5S)-5-ethyloxane-2,3-diol (PubChem CID 163705595) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2R,3R,5S)-5-ethyloxane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,5S)-5-ethyloxane-2,3-diol
PubChem CID163705595
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2R,3R,5S)-5-ethyloxane-2,3-diol
SMILESCC[C@@H]1CO[C@@H](O)[C@H](O)C1
InChIInChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)10-4-5/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1
InChIKeyKEUAOEBAVQLNHF-RRKCRQDMSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-ethyloxolan-2-yl]methanol
CID 124585151
(2S,4S)-4-ethyl-2-(methoxymethyl)oxolane
CID 146559108
(4R)-6-ethyloxane-3,4-diol
CID 90277867
(2S,3R,5S)-2-ethyloxane-3,5-diol
CID 148598014
2-chloro-5-ethyl-3-propan-2-yloxane
CID 23124370
3-(5-ethyl-1,3-dioxan-2-yl)-3-methylbutanoic acid
CID 142657649
(2R,4S)-2-butoxy-4-ethyloxolane
CID 131848104
(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
5-ethyloxane-3-carboxylic acid
CID 155745522
4-ethyl-2-(oxolan-3-yl)cyclohexan-1-ol
CID 79422205

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-5-ethyloxane-2,3-diol?
The IUPAC name of (2R,3R,5S)-5-ethyloxane-2,3-diol (CID 163705595) is (2R,3R,5S)-5-ethyloxane-2,3-diol.
What is the SMILES notation for (2R,3R,5S)-5-ethyloxane-2,3-diol?
The canonical SMILES for (2R,3R,5S)-5-ethyloxane-2,3-diol is CC[C@@H]1CO[C@@H](O)[C@H](O)C1.
What is the InChIKey of (2R,3R,5S)-5-ethyloxane-2,3-diol?
The InChIKey is KEUAOEBAVQLNHF-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-5-3-6(8)7(9)10-4-5/h5-9H,2-4H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of (2R,3R,5S)-5-ethyloxane-2,3-diol?
(2R,3R,5S)-5-ethyloxane-2,3-diol has a molecular weight of 146.19 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-5-ethyloxane-2,3-diol is sourced from PubChem (CID 163705595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).