(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one

C10H14O3 — CID 130839596

IUPAC(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CC[C@@H]1[C@@H](C=C)COC(=O)[C@@H]1O
InChIInChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2/t7-,8+,9+/m0/s1
InChIKeyARHNMAKZNUDOHC-DJLDLDEBSA-N
MW182.22 g/mol
LogP0.90
Rot. Bonds3

About (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one

(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one (PubChem CID 130839596) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
PubChem CID130839596
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
SMILESC=CC[C@@H]1[C@@H](C=C)COC(=O)[C@@H]1O
InChIInChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2/t7-,8+,9+/m0/s1
InChIKeyARHNMAKZNUDOHC-DJLDLDEBSA-N
XLogP0.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The IUPAC name of (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one (CID 130839596) is (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one.
What is the SMILES notation for (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The canonical SMILES for (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one is C=CC[C@@H]1[C@@H](C=C)COC(=O)[C@@H]1O.
What is the InChIKey of (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
The InChIKey is ARHNMAKZNUDOHC-DJLDLDEBSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-8-7(4-2)6-13-10(12)9(8)11/h3-4,7-9,11H,1-2,5-6H2/t7-,8+,9+/m0/s1.
What are the key properties of (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one?
(3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one is sourced from PubChem (CID 130839596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).