[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate

C13H18O4 — CID 134858504

IUPAC[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
SMILESC#CCOC1(C(C=C)OC(C)=O)CCCCO1
InChIInChI=1S/C13H18O4/c1-4-9-15-13(8-6-7-10-16-13)12(5-2)17-11(3)14/h1,5,12H,2,6-10H2,3H3
InChIKeyJPAYQUDIAPBIBX-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.65
Rot. Bonds5

About [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate

[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate (PubChem CID 134858504) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
PubChem CID134858504
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
SMILESC#CCOC1(C(C=C)OC(C)=O)CCCCO1
InChIInChI=1S/C13H18O4/c1-4-9-15-13(8-6-7-10-16-13)12(5-2)17-11(3)14/h1,5,12H,2,6-10H2,3H3
InChIKeyJPAYQUDIAPBIBX-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(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-but-3-enoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858550
[(5S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 134858589
[(1S)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate
CID 134858858
[(5R,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 639557
[(5S,6S)-1,7-dioxaspiro[5.5]undec-3-en-5-yl] acetate
CID 10846198
1,7-Dioxaspiro[5.5]undec-3-en-5-yl acetate
CID 22298171
8-(Oxan-2-yloxy)oct-1-en-3-yl acetate
CID 11011066

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate?
The IUPAC name of [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate (CID 134858504) is [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate.
What is the SMILES notation for [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate?
The canonical SMILES for [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate is C#CCOC1(C(C=C)OC(C)=O)CCCCO1.
What is the InChIKey of [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate?
The InChIKey is JPAYQUDIAPBIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-9-15-13(8-6-7-10-16-13)12(5-2)17-11(3)14/h1,5,12H,2,6-10H2,3H3.
What are the key properties of [(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate?
[(1R)-1-(2-prop-2-ynoxyoxan-2-yl)prop-2-enyl] acetate has a molecular weight of 238.28 g/mol, XLogP of 1.65, 5 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-ynoxyoxan-2-yl)prop-2-enyl] acetate is sourced from PubChem (CID 134858504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).