2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione

C10H16O5 — CID 139642366

IUPAC2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
SMILESCCCC1(O)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C10H16O5/c1-2-7-10(13)14-8(11)5-3-4-6-9(12)15-10/h13H,2-7H2,1H3
InChIKeyAYNACMJFEWZXBW-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.09
Rot. Bonds2

About 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione

2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione (PubChem CID 139642366) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione.

Molecular Properties

Compound Name2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
PubChem CID139642366
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
SMILESCCCC1(O)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C10H16O5/c1-2-7-10(13)14-8(11)5-3-4-6-9(12)15-10/h13H,2-7H2,1H3
InChIKeyAYNACMJFEWZXBW-UHFFFAOYSA-N
XLogP1.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-(4-hydroxypentyl)-1,3-dioxonane-4,9-dione
CID 140574837
2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
CID 139914308
2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione
CID 140574777
2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione
CID 140574841
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987
6,6-dibutyloxan-2-one
CID 10822452
2-butyl-2-hydroxy-1,3-dioxolane-4,5-dione
CID 139899991
2-(2-hydroxybutyl)-2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-1,3-dioxonane-4,9-dione
CID 140574770
4-hydroxy-4-pentyl-1,3-dioxetan-2-one
CID 142638506
(2-decyl-7-oxooxepan-2-yl) acetate
CID 70471794
5-ethenyl-5-propyloxolan-2-one
CID 103439870
2-hydroxy-2-(4-hydroxy-2-methylbutyl)-1,3-dioxepane-4,7-dione
CID 171058553

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione?
The IUPAC name of 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione (CID 139642366) is 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione.
What is the SMILES notation for 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione?
The canonical SMILES for 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione is CCCC1(O)OC(=O)CCCCC(=O)O1.
What is the InChIKey of 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione?
The InChIKey is AYNACMJFEWZXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-2-7-10(13)14-8(11)5-3-4-6-9(12)15-10/h13H,2-7H2,1H3.
What are the key properties of 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione?
2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione has a molecular weight of 216.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione is sourced from PubChem (CID 139642366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).