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

C7H14O3 — CID 148598014

IUPAC(2S,3R,5S)-2-ethyloxane-3,5-diol
SMILESCC[C@@H]1OC[C@@H](O)C[C@H]1O
InChIInChI=1S/C7H14O3/c1-2-7-6(9)3-5(8)4-10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNBYJCGWVKLTFNF-XVMARJQXSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds1

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

(2S,3R,5S)-2-ethyloxane-3,5-diol (PubChem CID 148598014) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S,3R,5S)-2-ethyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,5S)-2-ethyloxane-3,5-diol
PubChem CID148598014
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(2S,3R,5S)-2-ethyloxane-3,5-diol
SMILESCC[C@@H]1OC[C@@H](O)C[C@H]1O
InChIInChI=1S/C7H14O3/c1-2-7-6(9)3-5(8)4-10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1
InChIKeyNBYJCGWVKLTFNF-XVMARJQXSA-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

(2S,3R,4S,5S)-2-ethyloxane-3,4,5-triol
CID 134180059
(2R,4R,5S)-2-ethyloxane-3,4,5-triol
CID 121360500
6-(hydroxymethyl)-5-methyloxan-3-ol
CID 123248394
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
(2S,3R)-2-ethyloxan-3-ol
CID 101188955
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2S,4R,5R)-2,4-diethyl-1,3-dioxan-5-ol
CID 70594997
(2R,3R,5S)-2-[(2R,3R,5S)-3,5-dihydroxyoxan-2-yl]oxyoxane-3,5-diol
CID 177164369
(4aS,8aS)-2-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,7-diol
CID 137402322
(4S)-oxolane-2,4-diol
CID 16655459
(2R,3R,5S)-5-ethyloxane-2,3-diol
CID 163705595

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-ethyloxane-3,5-diol?
The IUPAC name of (2S,3R,5S)-2-ethyloxane-3,5-diol (CID 148598014) is (2S,3R,5S)-2-ethyloxane-3,5-diol.
What is the SMILES notation for (2S,3R,5S)-2-ethyloxane-3,5-diol?
The canonical SMILES for (2S,3R,5S)-2-ethyloxane-3,5-diol is CC[C@@H]1OC[C@@H](O)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-2-ethyloxane-3,5-diol?
The InChIKey is NBYJCGWVKLTFNF-XVMARJQXSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-7-6(9)3-5(8)4-10-7/h5-9H,2-4H2,1H3/t5-,6+,7-/m0/s1.
What are the key properties of (2S,3R,5S)-2-ethyloxane-3,5-diol?
(2S,3R,5S)-2-ethyloxane-3,5-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 (2S,3R,5S)-2-ethyloxane-3,5-diol is sourced from PubChem (CID 148598014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).