[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate

C15H24O5 — CID 162397645

IUPAC[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate
SMILESC=CC[C@@H]1O[C@H]([C@H]2C[C@@H](OC(C)=O)[C@@H](CC)O2)C[C@H]1O
InChIInChI=1S/C15H24O5/c1-4-6-12-10(17)7-13(20-12)15-8-14(18-9(3)16)11(5-2)19-15/h4,10-15,17H,1,5-8H2,2-3H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeyANMPEDYVZAXLQC-PEZGRIKUSA-N
MW284.35 g/mol
LogP1.58
Rot. Bonds5

About [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate

[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate (PubChem CID 162397645) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate
PubChem CID162397645
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate
SMILESC=CC[C@@H]1O[C@H]([C@H]2C[C@@H](OC(C)=O)[C@@H](CC)O2)C[C@H]1O
InChIInChI=1S/C15H24O5/c1-4-6-12-10(17)7-13(20-12)15-8-14(18-9(3)16)11(5-2)19-15/h4,10-15,17H,1,5-8H2,2-3H3/t10-,11-,12+,13+,14-,15-/m1/s1
InChIKeyANMPEDYVZAXLQC-PEZGRIKUSA-N
XLogP1.58
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate (CID 162397645) is [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate is C=CC[C@@H]1O[C@H]([C@H]2C[C@@H](OC(C)=O)[C@@H](CC)O2)C[C@H]1O.
What is the InChIKey of [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate?
The InChIKey is ANMPEDYVZAXLQC-PEZGRIKUSA-N. The full InChI is InChI=1S/C15H24O5/c1-4-6-12-10(17)7-13(20-12)15-8-14(18-9(3)16)11(5-2)19-15/h4,10-15,17H,1,5-8H2,2-3H3/t10-,11-,12+,13+,14-,15-/m1/s1.
What are the key properties of [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate?
[(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate has a molecular weight of 284.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-2-ethyl-5-[(2S,4R,5S)-4-hydroxy-5-prop-2-enyloxolan-2-yl]oxolan-3-yl] acetate is sourced from PubChem (CID 162397645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).