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

C14H16O6 — CID 11601572

IUPAC(3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
SMILESC[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=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/b7-5+,8-6+/t9-,10-/m1/s1
InChIKeyUFCYWVGYMRDUMX-PKVXPVJZSA-N
MW280.28 g/mol
LogP0.89
Rot. Bonds

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

(3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone (PubChem CID 11601572) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone.

Molecular Properties

Compound Name(3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
PubChem CID11601572
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name(3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone
SMILESC[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=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/b7-5+,8-6+/t9-,10-/m1/s1
InChIKeyUFCYWVGYMRDUMX-PKVXPVJZSA-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

Analyze (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The IUPAC name of (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone (CID 11601572) is (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone.
What is the SMILES notation for (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The canonical SMILES for (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone is C[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=O)O1.
What is the InChIKey of (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
The InChIKey is UFCYWVGYMRDUMX-PKVXPVJZSA-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/b7-5+,8-6+/t9-,10-/m1/s1.
What are the key properties of (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone?
(3E,6R,9E,14R)-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 (3E,6R,9E,14R)-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8,11-tetrone is sourced from PubChem (CID 11601572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).