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

C10H14O4 — CID 14432036

IUPAC(2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](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/t8-,10?/m0/s1
InChIKeyVBEVLYXYSGWUKJ-PEHGTWAWSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds3

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

(2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one (PubChem CID 14432036) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one
PubChem CID14432036
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](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/t8-,10?/m0/s1
InChIKeyVBEVLYXYSGWUKJ-PEHGTWAWSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The IUPAC name of (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one (CID 14432036) is (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The canonical SMILES for (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one is O=C1C=C[C@@H](COC2CCCCO2)O1.
What is the InChIKey of (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one?
The InChIKey is VBEVLYXYSGWUKJ-PEHGTWAWSA-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/t8-,10?/m0/s1.
What are the key properties of (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one?
(2S)-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 (2S)-2-(oxan-2-yloxymethyl)-2H-furan-5-one is sourced from PubChem (CID 14432036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).