6-hydroxy-1,3-dioxepan-5-one

C5H8O4 — CID 24977583

IUPAC6-hydroxy-1,3-dioxepan-5-one
SMILESO=C1COCOCC1O
InChIInChI=1S/C5H8O4/c6-4-1-8-3-9-2-5(4)7/h4,6H,1-3H2
InChIKeyIZTYIMFCTYOOOW-UHFFFAOYSA-N
MW132.11 g/mol
LogP-1.08
Rot. Bonds

About 6-hydroxy-1,3-dioxepan-5-one

6-hydroxy-1,3-dioxepan-5-one (PubChem CID 24977583) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 6-hydroxy-1,3-dioxepan-5-one.

Molecular Properties

Compound Name6-hydroxy-1,3-dioxepan-5-one
PubChem CID24977583
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name6-hydroxy-1,3-dioxepan-5-one
SMILESO=C1COCOCC1O
InChIInChI=1S/C5H8O4/c6-4-1-8-3-9-2-5(4)7/h4,6H,1-3H2
InChIKeyIZTYIMFCTYOOOW-UHFFFAOYSA-N
XLogP-1.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-aminooxolan-3-one
CID 59107733
1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
CID 158149113
2-[methyl-(4-oxooxolan-3-yl)amino]acetic acid
CID 82411726
N-(4-oxooxolan-3-yl)acetamide
CID 123326403
4,5-dihydroxyoxolan-3-one
CID 174900743
7-hydroxy-1,3,5-trioxocane-2,4-dione
CID 175346709
3-hydroxyoxolane-2,4-dione
CID 10154033
(4aR,7R,7aR)-7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130926096
7-hydroxy-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
CID 130151867
tert-butyl (3R)-4-oxooxolane-3-carboxylate
CID 86334856
ethyl (3S)-4-oxooxolane-3-carboxylate
CID 86333448
2-hydroxycyclotetracosan-1-one
CID 13429421

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3-dioxepan-5-one?
The IUPAC name of 6-hydroxy-1,3-dioxepan-5-one (CID 24977583) is 6-hydroxy-1,3-dioxepan-5-one.
What is the SMILES notation for 6-hydroxy-1,3-dioxepan-5-one?
The canonical SMILES for 6-hydroxy-1,3-dioxepan-5-one is O=C1COCOCC1O.
What is the InChIKey of 6-hydroxy-1,3-dioxepan-5-one?
The InChIKey is IZTYIMFCTYOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-4-1-8-3-9-2-5(4)7/h4,6H,1-3H2.
What are the key properties of 6-hydroxy-1,3-dioxepan-5-one?
6-hydroxy-1,3-dioxepan-5-one has a molecular weight of 132.11 g/mol, XLogP of -1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dioxepan-5-one is sourced from PubChem (CID 24977583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).