2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione

C22H34O10 — CID 139914308

IUPAC2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
SMILESO=C1CCCCCCCCC(=O)OC(O)(C2(O)OC(=O)CCCCCCCCC(=O)O2)O1
InChIInChI=1S/C22H34O10/c23-17-13-9-5-1-2-6-10-14-18(24)30-21(27,29-17)22(28)31-19(25)15-11-7-3-4-8-12-16-20(26)32-22/h27-28H,1-16H2
InChIKeySOVBBUQRIRYZOO-UHFFFAOYSA-N
MW458.50 g/mol
LogP2.72
Rot. Bonds1

About 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione

2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione (PubChem CID 139914308) has the molecular formula C22H34O10 and a molecular weight of 458.50 g/mol. Its IUPAC name is 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione.

Molecular Properties

Compound Name2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
PubChem CID139914308
Molecular FormulaC22H34O10
Molecular Weight458.50 g/mol
Exact Mass458.22
IUPAC Name2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione
SMILESO=C1CCCCCCCCC(=O)OC(O)(C2(O)OC(=O)CCCCCCCCC(=O)O2)O1
InChIInChI=1S/C22H34O10/c23-17-13-9-5-1-2-6-10-14-18(24)30-21(27,29-17)22(28)31-19(25)15-11-7-3-4-8-12-16-20(26)32-22/h27-28H,1-16H2
InChIKeySOVBBUQRIRYZOO-UHFFFAOYSA-N
XLogP2.72
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-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
oxacyclododecane-2,12-dione
CID 14785770
2-(2-hydroxy-4,9-dioxo-1,3-dioxonan-2-yl)-2-(3-hydroxyhexyl)-1,3-dioxonane-4,9-dione
CID 140574777
1,4,15,18-tetraoxacyclooctacosane-5,14,19,28-tetrone
CID 12581605
1,2,3-trioxacyclotridecane-4,13-dione
CID 154144328
1,3-dioxacyclopentadecane-4,15-dione
CID 54430729
2-hydroxy-2-(4-hydroxypentyl)-1,3-dioxonane-4,9-dione
CID 140574837
1,6-dioxacyclotridecane-7,13-dione
CID 70450916
1,11-dioxacycloicosane-2,12-dione
CID 15642894
1,8-dioxacyclopentadecane-2,7-dione
CID 172688052
16,16-dimethyl-1-oxacyclohexadec-12-en-2-one
CID 78023283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione?
The IUPAC name of 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione (CID 139914308) is 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione.
What is the SMILES notation for 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione?
The canonical SMILES for 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione is O=C1CCCCCCCCC(=O)OC(O)(C2(O)OC(=O)CCCCCCCCC(=O)O2)O1.
What is the InChIKey of 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione?
The InChIKey is SOVBBUQRIRYZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O10/c23-17-13-9-5-1-2-6-10-14-18(24)30-21(27,29-17)22(28)31-19(25)15-11-7-3-4-8-12-16-20(26)32-22/h27-28H,1-16H2.
What are the key properties of 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione?
2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione has a molecular weight of 458.50 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-hydroxy-4,13-dioxo-1,3-dioxacyclotridec-2-yl)-1,3-dioxacyclotridecane-4,13-dione is sourced from PubChem (CID 139914308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).