(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol

C7H12O3 — CID 130917823

IUPAC(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
SMILESC=C[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C7H12O3/c1-2-7-6(9)3-5(4-8)10-7/h2,5-9H,1,3-4H2/t5-,6+,7-/m0/s1
InChIKeyFCBKOXLXFWBNRR-XVMARJQXSA-N
MW144.17 g/mol
LogP-0.32
Rot. Bonds2

About (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol

(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 130917823) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
PubChem CID130917823
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol
SMILESC=C[C@@H]1O[C@H](CO)C[C@H]1O
InChIInChI=1S/C7H12O3/c1-2-7-6(9)3-5(4-8)10-7/h2,5-9H,1,3-4H2/t5-,6+,7-/m0/s1
InChIKeyFCBKOXLXFWBNRR-XVMARJQXSA-N
XLogP-0.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.32
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

CID 89009829
CID 89009829
(4S)-7-(hydroxymethyl)oxepane-2,4,5-triol
CID 163289126
2-(hydroxymethyl)-5-prop-2-enyloxolan-3-ol
CID 130147586
3-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 14331766
(3S,4S,6S)-2-amino-6-(hydroxymethyl)oxane-3,4-diol
CID 89318035
(3S,6S)-3,6-bis(hydroxymethyl)-2-methoxyoxan-4-ol
CID 143771593
ethane;6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 143276488
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505
2-[(2R,3R)-3-ethenyloxiran-2-yl]ethanol
CID 10057474
6-(hydroxymethyl)-2-methylsulfanyloxane-3,4-diol
CID 123678113
2-ethynyl-6-(hydroxymethyl)oxane-3,4-diol
CID 144652826
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol (CID 130917823) is (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol is C=C[C@@H]1O[C@H](CO)C[C@H]1O.
What is the InChIKey of (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is FCBKOXLXFWBNRR-XVMARJQXSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7-6(9)3-5(4-8)10-7/h2,5-9H,1,3-4H2/t5-,6+,7-/m0/s1.
What are the key properties of (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol?
(2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 144.17 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-2-ethenyl-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 130917823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).