[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate

C14H22O4 — CID 134858550

IUPAC[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
SMILESC=CCCOC1(C(C=C)OC(C)=O)CCCCO1
InChIInChI=1S/C14H22O4/c1-4-6-10-16-14(9-7-8-11-17-14)13(5-2)18-12(3)15/h4-5,13H,1-2,6-11H2,3H3
InChIKeyGUNSDTYRZQVBRK-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.59
Rot. Bonds7

About [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate

[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate (PubChem CID 134858550) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
PubChem CID134858550
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
SMILESC=CCCOC1(C(C=C)OC(C)=O)CCCCO1
InChIInChI=1S/C14H22O4/c1-4-6-10-16-14(9-7-8-11-17-14)13(5-2)18-12(3)15/h4-5,13H,1-2,6-11H2,3H3
InChIKeyGUNSDTYRZQVBRK-UHFFFAOYSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6,7-dideoxy-1,2,3,4-tetraacetate-L-galacto-hept-6-enopyranose
CID 58013660
(3,4,5-Triacetyloxy-6-ethenyloxan-2-yl)methyl acetate
CID 14212696
[(2R,3S,4S,5R,6R)-2,3,4,5,6-pentaacetyloxyoct-7-enyl] acetate
CID 11655536
[(2R,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-propa-1,2-dienyloxan-2-yl]methyl acetate
CID 91523983
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 101414137
[(5R)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134840284
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
CID 134840285
[(1R)-1-(2-prop-2-enoxyoxolan-2-yl)pent-4-enyl] acetate
CID 134840371
[(1S)-1-(2-prop-2-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134840401
[(12R)-1,7-dioxaspiro[5.6]dodec-10-en-12-yl] acetate
CID 134858490
[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858504
[(5S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134858589

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate?
The IUPAC name of [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate (CID 134858550) is [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate is C=CCCOC1(C(C=C)OC(C)=O)CCCCO1.
What is the InChIKey of [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate?
The InChIKey is GUNSDTYRZQVBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-6-10-16-14(9-7-8-11-17-14)13(5-2)18-12(3)15/h4-5,13H,1-2,6-11H2,3H3.
What are the key properties of [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate?
[(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate has a molecular weight of 254.33 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate is sourced from PubChem (CID 134858550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).