(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol

C9H16O3 — CID 163633653

IUPAC(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
SMILESCCC1([C@H]2OC[C@H](O)C2O)CC1
InChIInChI=1S/C9H16O3/c1-2-9(3-4-9)8-7(11)6(10)5-12-8/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-/m0/s1
InChIKeyHYFVQFAMGHEALQ-PPSBICQBSA-N
MW172.22 g/mol
LogP0.30
Rot. Bonds2

About (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol

(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol (PubChem CID 163633653) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
PubChem CID163633653
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol
SMILESCCC1([C@H]2OC[C@H](O)C2O)CC1
InChIInChI=1S/C9H16O3/c1-2-9(3-4-9)8-7(11)6(10)5-12-8/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-/m0/s1
InChIKeyHYFVQFAMGHEALQ-PPSBICQBSA-N
XLogP0.30
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.30
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
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
4-amino-1-ethylbicyclo[2.2.2]octan-2-ol
CID 122539385
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
(2S,3S,4R,5S)-2-methyloxane-3,4,5-triol
CID 59378770
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515
(2S,3R,4S,5R)-2-hexan-3-yloxane-3,4,5-triol
CID 70483403
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(3S,4R)-(313C)oxolane-2,3,4-triol
CID 90472722

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol?
The IUPAC name of (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol (CID 163633653) is (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol?
The canonical SMILES for (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol is CCC1([C@H]2OC[C@H](O)C2O)CC1.
What is the InChIKey of (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol?
The InChIKey is HYFVQFAMGHEALQ-PPSBICQBSA-N. The full InChI is InChI=1S/C9H16O3/c1-2-9(3-4-9)8-7(11)6(10)5-12-8/h6-8,10-11H,2-5H2,1H3/t6-,7?,8-/m0/s1.
What are the key properties of (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol?
(2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol has a molecular weight of 172.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(1-ethylcyclopropyl)oxolane-3,4-diol is sourced from PubChem (CID 163633653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).