3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one

C13H18O4 — CID 11579579

IUPAC3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one
SMILESCC(C)=C1C=C(COC2CCCCO2)C(=O)O1
InChIInChI=1S/C13H18O4/c1-9(2)11-7-10(13(14)17-11)8-16-12-5-3-4-6-15-12/h7,12H,3-6,8H2,1-2H3
InChIKeyDFGAPALBIKRPAR-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.31
Rot. Bonds3

About 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one

3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one (PubChem CID 11579579) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one
PubChem CID11579579
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one
SMILESCC(C)=C1C=C(COC2CCCCO2)C(=O)O1
InChIInChI=1S/C13H18O4/c1-9(2)11-7-10(13(14)17-11)8-16-12-5-3-4-6-15-12/h7,12H,3-6,8H2,1-2H3
InChIKeyDFGAPALBIKRPAR-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-[(3,5-dimethoxyphenyl)methoxy]oxane
CID 173090369
3-hydroxy-2-(hydroxymethyl)-6-(oxan-2-yloxymethyl)pyran-4-one
CID 58916952
2-[(4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane
CID 11680270

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one?
The IUPAC name of 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one (CID 11579579) is 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one?
The canonical SMILES for 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one is CC(C)=C1C=C(COC2CCCCO2)C(=O)O1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one?
The InChIKey is DFGAPALBIKRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(2)11-7-10(13(14)17-11)8-16-12-5-3-4-6-15-12/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one?
3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one has a molecular weight of 238.28 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)-5-propan-2-ylidenefuran-2-one is sourced from PubChem (CID 11579579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).