[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate

C14H22O4 — CID 134840371

IUPAC[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate
SMILESC=CCCC(OC(C)=O)C1(OCC=C)CCCO1
InChIInChI=1S/C14H22O4/c1-4-6-8-13(18-12(3)15)14(16-10-5-2)9-7-11-17-14/h4-5,13H,1-2,6-11H2,3H3
InChIKeyAHDGYRWHXCDVDY-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds8

About [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate

[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate (PubChem CID 134840371) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate
PubChem CID134840371
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate
SMILESC=CCCC(OC(C)=O)C1(OCC=C)CCCO1
InChIInChI=1S/C14H22O4/c1-4-6-8-13(18-12(3)15)14(16-10-5-2)9-7-11-17-14/h4-5,13H,1-2,6-11H2,3H3
InChIKeyAHDGYRWHXCDVDY-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,5S)-3-acetyloxy-5-but-3-enyloxolan-2-yl]methyl acetate
CID 163410452
[(2S,5S)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 163410453
[(2R,3S,5R)-3-acetyloxy-5-but-3-enyloxolan-2-yl]methyl acetate
CID 168266627
[(2R,5R)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 168266628
[(1S)-1-[(2R,3R,5S)-5-ethenyl-3-fluorooxolan-2-yl]propyl] acetate
CID 169967394
[2-Methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-1-en-3-yl] acetate
CID 13481363
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 101414137
[(2R,5S)-3,4-diacetyloxy-5-prop-2-enyloxolan-2-yl]methyl acetate
CID 134830803
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
CID 134840285
[(1S)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134840401
[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858550
[(8Z,12R)-1,6-dioxaspiro[4.7]dodec-8-en-12-yl] acetate
CID 134858630

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate?
The IUPAC name of [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate (CID 134840371) is [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate.
What is the SMILES notation for [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate?
The canonical SMILES for [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate is C=CCCC(OC(C)=O)C1(OCC=C)CCCO1.
What is the InChIKey of [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate?
The InChIKey is AHDGYRWHXCDVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-6-8-13(18-12(3)15)14(16-10-5-2)9-7-11-17-14/h4-5,13H,1-2,6-11H2,3H3.
What are the key properties of [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate?
[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate has a molecular weight of 254.33 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate is sourced from PubChem (CID 134840371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).