(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one

C11H16O3 — CID 11735726

IUPAC(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H](O)[C@@H]1CC(=O)O[C@H]1CC=C
InChIInChI=1S/C11H16O3/c1-3-5-9(12)8-7-11(13)14-10(8)6-4-2/h3-4,8-10,12H,1-2,5-7H2/t8-,9+,10-/m0/s1
InChIKeyMGUGREFIKPVBLT-AEJSXWLSSA-N
MW196.25 g/mol
LogP1.43
Rot. Bonds5

About (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one

(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one (PubChem CID 11735726) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one
PubChem CID11735726
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one
SMILESC=CC[C@@H](O)[C@@H]1CC(=O)O[C@H]1CC=C
InChIInChI=1S/C11H16O3/c1-3-5-9(12)8-7-11(13)14-10(8)6-4-2/h3-4,8-10,12H,1-2,5-7H2/t8-,9+,10-/m0/s1
InChIKeyMGUGREFIKPVBLT-AEJSXWLSSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.43
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 (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one?
The IUPAC name of (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one (CID 11735726) is (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one?
The canonical SMILES for (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one is C=CC[C@@H](O)[C@@H]1CC(=O)O[C@H]1CC=C.
What is the InChIKey of (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one?
The InChIKey is MGUGREFIKPVBLT-AEJSXWLSSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-5-9(12)8-7-11(13)14-10(8)6-4-2/h3-4,8-10,12H,1-2,5-7H2/t8-,9+,10-/m0/s1.
What are the key properties of (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one?
(4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-[(1R)-1-hydroxybut-3-enyl]-5-prop-2-enyloxolan-2-one is sourced from PubChem (CID 11735726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).