2-(oxan-2-yloxymethyl)-2H-furan-5-one

C10H14O4 — CID 14432035

IUPAC2-(oxan-2-yloxymethyl)-2H-furan-5-one
SMILESO=C1C=CC(COC2CCCCO2)O1
InChIInChI=1S/C10H14O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h4-5,8,10H,1-3,6-7H2
InChIKeyVBEVLYXYSGWUKJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds3

About 2-(oxan-2-yloxymethyl)-2H-furan-5-one

2-(oxan-2-yloxymethyl)-2H-furan-5-one (PubChem CID 14432035) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)-2H-furan-5-one
PubChem CID14432035
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-(oxan-2-yloxymethyl)-2H-furan-5-one
SMILESO=C1C=CC(COC2CCCCO2)O1
InChIInChI=1S/C10H14O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h4-5,8,10H,1-3,6-7H2
InChIKeyVBEVLYXYSGWUKJ-UHFFFAOYSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-3-(oxan-2-yloxy)prop-1-enyl]-2H-furan-5-one
CID 15054605
2-(oxan-2-yloxymethyl)-2H-chromen-8-amine
CID 142656378
(2S)-2-[[(2R)-oxiran-2-yl]methoxy]oxane
CID 92982921
(4S)-4-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 44604239
(3R)-3-(oxan-2-yloxymethyl)-3,6-dihydro-2H-pyran
CID 11241051
2-(cyclohex-3-en-1-ylmethoxy)oxane
CID 12025488
3-[2-(oxan-2-yloxy)ethoxy]oxolan-2-one
CID 121451856
2-(phenoxymethyl)-2H-furan-5-one
CID 11275514
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
5-chloro-4-(oxan-2-yloxy)cyclopent-2-en-1-one
CID 139632825
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-(12-bromododecoxy)oxane
CID 11078592

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The IUPAC name of 2-(oxan-2-yloxymethyl)-2H-furan-5-one (CID 14432035) is 2-(oxan-2-yloxymethyl)-2H-furan-5-one.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The canonical SMILES for 2-(oxan-2-yloxymethyl)-2H-furan-5-one is O=C1C=CC(COC2CCCCO2)O1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The InChIKey is VBEVLYXYSGWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c11-9-5-4-8(14-9)7-13-10-3-1-2-6-12-10/h4-5,8,10H,1-3,6-7H2.
What are the key properties of 2-(oxan-2-yloxymethyl)-2H-furan-5-one?
2-(oxan-2-yloxymethyl)-2H-furan-5-one has a molecular weight of 198.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)-2H-furan-5-one is sourced from PubChem (CID 14432035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).