6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione

C12H20O6 — CID 156907923

IUPAC6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione
SMILESCC1COCC(=O)OCC(C)COCC(=O)OC1
InChIInChI=1S/C12H20O6/c1-9-3-15-7-12(14)18-6-10(2)4-16-8-11(13)17-5-9/h9-10H,3-8H2,1-2H3
InChIKeyBILGZPJBFDQQDG-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.39
Rot. Bonds

About 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione

6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione (PubChem CID 156907923) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione.

Molecular Properties

Compound Name6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione
PubChem CID156907923
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione
SMILESCC1COCC(=O)OCC(C)COCC(=O)OC1
InChIInChI=1S/C12H20O6/c1-9-3-15-7-12(14)18-6-10(2)4-16-8-11(13)17-5-9/h9-10H,3-8H2,1-2H3
InChIKeyBILGZPJBFDQQDG-UHFFFAOYSA-N
XLogP0.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione?
The IUPAC name of 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione (CID 156907923) is 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione.
What is the SMILES notation for 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione?
The canonical SMILES for 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione is CC1COCC(=O)OCC(C)COCC(=O)OC1.
What is the InChIKey of 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione?
The InChIKey is BILGZPJBFDQQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O6/c1-9-3-15-7-12(14)18-6-10(2)4-16-8-11(13)17-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione?
6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione has a molecular weight of 260.29 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethyl-1,4,8,11-tetraoxacyclotetradecane-2,9-dione is sourced from PubChem (CID 156907923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).