(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol

C8H14O3 — CID 130918403

IUPAC(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol
SMILESC=C[C@H]1C[C@@H](O)[C@@H]([C@H](C)O)O1
InChIInChI=1S/C8H14O3/c1-3-6-4-7(10)8(11-6)5(2)9/h3,5-10H,1,4H2,2H3/t5-,6-,7+,8+/m0/s1
InChIKeyKKGAALMNOKIXIC-RULNZFCNSA-N
MW158.20 g/mol
LogP0.07
Rot. Bonds2

About (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol

(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol (PubChem CID 130918403) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol
PubChem CID130918403
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol
SMILESC=C[C@H]1C[C@@H](O)[C@@H]([C@H](C)O)O1
InChIInChI=1S/C8H14O3/c1-3-6-4-7(10)8(11-6)5(2)9/h3,5-10H,1,4H2,2H3/t5-,6-,7+,8+/m0/s1
InChIKeyKKGAALMNOKIXIC-RULNZFCNSA-N
XLogP0.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,4S,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
CID 122394385
(2R,4R,6S)-2-ethenyl-6-(2-methylpropyl)oxan-4-ol
CID 122394384
(2R,4S,6R)-2-ethenyl-6-methyloxan-4-ol
CID 138966744
(2R,3S,5S)-5-ethenyl-2,3-dimethyloxolane
CID 174025455
(3R,5R)-5-[(1R)-1-hydroxyethyl]oxolane-2,3-diol
CID 175800512
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
6-(2-methylpropyl)oxane-2,4,5-triol
CID 20758150
5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
(1R)-1-[(3S)-3-[(E)-2-[(2S,3S)-3-[(1R)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
CID 73438947
(1R)-1-[(2S,3S)-3-[(E)-2-[(2S,3S)-3-[(1S)-1-hydroxyethyl]oxiran-2-yl]ethenyl]oxiran-2-yl]prop-2-en-1-ol
CID 177442327
1-[(2R,4S,5R)-4-hydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175678261

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol (CID 130918403) is (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol is C=C[C@H]1C[C@@H](O)[C@@H]([C@H](C)O)O1.
What is the InChIKey of (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol?
The InChIKey is KKGAALMNOKIXIC-RULNZFCNSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-6-4-7(10)8(11-6)5(2)9/h3,5-10H,1,4H2,2H3/t5-,6-,7+,8+/m0/s1.
What are the key properties of (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol?
(2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol has a molecular weight of 158.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-ethenyl-2-[(1S)-1-hydroxyethyl]oxolan-3-ol is sourced from PubChem (CID 130918403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).