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

C15H24O4 — CID 134840285

IUPAC[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
SMILESC=CCCC(OC(C)=O)C1(OCC=C)CCCCO1
InChIInChI=1S/C15H24O4/c1-4-6-9-14(19-13(3)16)15(17-11-5-2)10-7-8-12-18-15/h4-5,14H,1-2,6-12H2,3H3
InChIKeyPBIFMHGCICWTTD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.98
Rot. Bonds8

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

[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate (PubChem CID 134840285) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
PubChem CID134840285
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate
SMILESC=CCCC(OC(C)=O)C1(OCC=C)CCCCO1
InChIInChI=1S/C15H24O4/c1-4-6-9-14(19-13(3)16)15(17-11-5-2)10-7-8-12-18-15/h4-5,14H,1-2,6-12H2,3H3
InChIKeyPBIFMHGCICWTTD-UHFFFAOYSA-N
XLogP2.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.98
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,5S)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 163410453
[(2R,5R)-5-[(2S)-2-acetyloxybut-3-enyl]oxolan-2-yl]methyl acetate
CID 168266628
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
[(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-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
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate?
The IUPAC name of [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate (CID 134840285) is [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate.
What is the SMILES notation for [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate?
The canonical SMILES for [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate is C=CCCC(OC(C)=O)C1(OCC=C)CCCCO1.
What is the InChIKey of [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate?
The InChIKey is PBIFMHGCICWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-4-6-9-14(19-13(3)16)15(17-11-5-2)10-7-8-12-18-15/h4-5,14H,1-2,6-12H2,3H3.
What are the key properties of [(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate?
[(1R)-1-(2-prop-2-enoxyoxan-2-yl)pent-4-enyl] acetate has a molecular weight of 268.35 g/mol, XLogP of 2.98, 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-enoxyoxan-2-yl)pent-4-enyl] acetate is sourced from PubChem (CID 134840285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).