2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione

C14H24O6 — CID 140574841

IUPAC2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione
SMILESCCCCC(O)(CC)C1(O)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C14H24O6/c1-3-5-10-13(17,4-2)14(18)19-11(15)8-6-7-9-12(16)20-14/h17-18H,3-10H2,1-2H3
InChIKeyUVNAGZOESRETHQ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.62
Rot. Bonds5

About 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione

2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione (PubChem CID 140574841) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione.

Molecular Properties

Compound Name2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione
PubChem CID140574841
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione
SMILESCCCCC(O)(CC)C1(O)OC(=O)CCCCC(=O)O1
InChIInChI=1S/C14H24O6/c1-3-5-10-13(17,4-2)14(18)19-11(15)8-6-7-9-12(16)20-14/h17-18H,3-10H2,1-2H3
InChIKeyUVNAGZOESRETHQ-UHFFFAOYSA-N
XLogP1.62
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-2-(3-hydroxypentan-3-yl)-1,3-dioxepane-4,7-dione
CID 134158884
2-hydroxy-2-propyl-1,3-dioxonane-4,9-dione
CID 139642366
6,6-dibutyloxan-2-one
CID 10822452
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
butane-1,1,1-triol;oxepan-2-one
CID 174756050
(2-decyl-7-oxooxepan-2-yl) acetate
CID 70471794
2,2-diethyl-1,3-dioxocane-4,8-dione
CID 70532987
2-hydroxy-2-(4-hydroxypentyl)-1,3-dioxonane-4,9-dione
CID 140574837
2-(2-hydroxybutyl)-2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-1,3-dioxonane-4,9-dione
CID 140574770
(3S)-3-[1-(3-methylbut-2-enyl)cyclobutyl]heptan-3-ol
CID 67406943
ethyl 6-oxo-2-undecyloxane-2-carboxylate
CID 11484210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione?
The IUPAC name of 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione (CID 140574841) is 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione.
What is the SMILES notation for 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione?
The canonical SMILES for 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione is CCCCC(O)(CC)C1(O)OC(=O)CCCCC(=O)O1.
What is the InChIKey of 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione?
The InChIKey is UVNAGZOESRETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O6/c1-3-5-10-13(17,4-2)14(18)19-11(15)8-6-7-9-12(16)20-14/h17-18H,3-10H2,1-2H3.
What are the key properties of 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione?
2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione has a molecular weight of 288.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(3-hydroxyheptan-3-yl)-1,3-dioxonane-4,9-dione is sourced from PubChem (CID 140574841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).