2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione

C20H30O10 — CID 140574777

IUPAC2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione
SMILESCCCC(O)CCC1(C2(O)OC(=O)CCCCC(=O)O2)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C20H30O10/c1-2-7-14(21)12-13-19(27-15(22)8-3-4-9-16(23)28-19)20(26)29-17(24)10-5-6-11-18(25)30-20/h14,21,26H,2-13H2,1H3
InChIKeyZHBAHNDCFOFKGY-UHFFFAOYSA-N
MW430.45 g/mol
LogP1.59
Rot. Bonds6

About 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione

2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione (PubChem CID 140574777) has the molecular formula C20H30O10 and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione.

Molecular Properties

Compound Name2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione
PubChem CID140574777
Molecular FormulaC20H30O10
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Name2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione
SMILESCCCC(O)CCC1(C2(O)OC(=O)CCCCC(=O)O2)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C20H30O10/c1-2-7-14(21)12-13-19(27-15(22)8-3-4-9-16(23)28-19)20(26)29-17(24)10-5-6-11-18(25)30-20/h14,21,26H,2-13H2,1H3
InChIKeyZHBAHNDCFOFKGY-UHFFFAOYSA-N
XLogP1.59
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione with MolForge

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Related Compounds

2-(2-hydroxybutyl)-2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-1,3-dioxonane-4,9-dione
CID 140574770
2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
CID 139642366
2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
CID 139914308
1',6,6'-trihydroxy-1-(3-hydroxypentyl)-2,2'-spirobi[3,9,10-trioxabicyclo[4.3.2]undecane]-4,4',8,8',11,11'-hexone
CID 140574875
2-hydroxy-2-(4-hydroxypentyl)-1,3-dioxonane-4,9-dione
CID 140574837
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
(2R)-2-[(1R)-1-hydroxybutyl]-2-methylcyclohexan-1-one
CID 13129590
(2-decyl-7-oxooxepan-2-yl) acetate
CID 70471794
(4R,8R)-undecane-4,8-diol
CID 101372142
(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one
CID 11367886

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione?
The IUPAC name of 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione (CID 140574777) is 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione.
What is the SMILES notation for 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione?
The canonical SMILES for 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione is CCCC(O)CCC1(C2(O)OC(=O)CCCCC(=O)O2)OC(=O)CCCCC(=O)O1.
What is the InChIKey of 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione?
The InChIKey is ZHBAHNDCFOFKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O10/c1-2-7-14(21)12-13-19(27-15(22)8-3-4-9-16(23)28-19)20(26)29-17(24)10-5-6-11-18(25)30-20/h14,21,26H,2-13H2,1H3.
What are the key properties of 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione?
2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione has a molecular weight of 430.45 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione is sourced from PubChem (CID 140574777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).