6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone

C14H16O6 — CID 73025825

IUPAC6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
SMILESCC1CCC(=O)C=CC(=O)OC(C)C(=O)C=CC(=O)O1
InChIInChI=1S/C14H16O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-10H,3-4H2,1-2H3
InChIKeyUFCYWVGYMRDUMX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.89
Rot. Bonds

About 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone

6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone (PubChem CID 73025825) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone.

Molecular Properties

Compound Name6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
PubChem CID73025825
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
SMILESCC1CCC(=O)C=CC(=O)OC(C)C(=O)C=CC(=O)O1
InChIInChI=1S/C14H16O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-10H,3-4H2,1-2H3
InChIKeyUFCYWVGYMRDUMX-UHFFFAOYSA-N
XLogP0.89
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(8R,16R)-(-)-pyrenophorin
CID 11109605
Ufcywvgymrdumx-pkvxpvjzsa-
CID 11601572
CID 6444323
CID 6444323
diethyl (E)-4-oxohept-2-enedioate
CID 44389472
Pyrenophorin
CID 5372417
Grahamimycin A
CID 6441867
(3E,6S,16R)-6-methoxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 56667024
[(3E,6S,16R)-16-methyl-2,5-dioxo-1-oxacyclohexadec-3-en-6-yl] acetate
CID 56683920
(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 102239699
Dihydropyrenophorin
CID 139583253
Pestalotioprolide D
CID 139589630
(2,10-Dimethyl-8,13,16-trioxo-1,9-dioxacyclohexadeca-6,14-dien-5-yl) acetate
CID 163029365

Frequently Asked Questions

What is the IUPAC name of 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The IUPAC name of 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone (CID 73025825) is 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone.
What is the SMILES notation for 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The canonical SMILES for 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone is CC1CCC(=O)C=CC(=O)OC(C)C(=O)C=CC(=O)O1.
What is the InChIKey of 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The InChIKey is UFCYWVGYMRDUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-10H,3-4H2,1-2H3.
What are the key properties of 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone has a molecular weight of 280.28 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone is sourced from PubChem (CID 73025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).