ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate

C12H20O6 — CID 15853059

IUPACethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate
SMILESCCOC(=O)C1CCOCCOCCOC(=O)C1
InChIInChI=1S/C12H20O6/c1-2-17-12(14)10-3-4-15-5-6-16-7-8-18-11(13)9-10/h10H,2-9H2,1H3
InChIKeyWDLOGLMMRXIORD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.54
Rot. Bonds2

About ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate

ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate (PubChem CID 15853059) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate.

Molecular Properties

Compound Nameethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate
PubChem CID15853059
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Nameethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate
SMILESCCOC(=O)C1CCOCCOCCOC(=O)C1
InChIInChI=1S/C12H20O6/c1-2-17-12(14)10-3-4-15-5-6-16-7-8-18-11(13)9-10/h10H,2-9H2,1H3
InChIKeyWDLOGLMMRXIORD-UHFFFAOYSA-N
XLogP0.54
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 581486
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Tripentyl propane-1,2,3-tricarboxylate
CID 220122
1,2,3-Triethyl 1,2,3-propanetricarboxylate
CID 221055
Pentanedioic acid, 3-methyl-, 1,5-diethyl ester
CID 81273
Tris(3-methylbutyl) propane-1,2,3-tricarboxylate
CID 220127
Mangrovlide A
CID 146682709
Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
1,2,3-Cyclopropanetricarboxylic acid, triethyl ester
CID 604010
Triethyl butane-1,2,4-tricarboxylate
CID 14911875
1,2,3-Propanetricarboxylic acid tributyl ester
CID 21269325

Frequently Asked Questions

What is the IUPAC name of ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate?
The IUPAC name of ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate (CID 15853059) is ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate.
What is the SMILES notation for ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate?
The canonical SMILES for ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate is CCOC(=O)C1CCOCCOCCOC(=O)C1.
What is the InChIKey of ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate?
The InChIKey is WDLOGLMMRXIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-2-17-12(14)10-3-4-15-5-6-16-7-8-18-11(13)9-10/h10H,2-9H2,1H3.
What are the key properties of ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate?
ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-oxo-1,4,7-trioxacyclododecane-10-carboxylate is sourced from PubChem (CID 15853059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).