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

C14H20O6 — CID 5468288

IUPAC(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCC1CCC(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1
InChIInChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeySSVNIYICRYPPEB-KQQUZDAGSA-N
MW284.31 g/mol
LogP0.48
Rot. Bonds

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

(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (PubChem CID 5468288) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID5468288
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESCC1CCC(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1
InChIInChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeySSVNIYICRYPPEB-KQQUZDAGSA-N
XLogP0.48
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The IUPAC name of (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (CID 5468288) is (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The canonical SMILES for (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is CC1CCC(O)/C=C/C(=O)OC(C)C(O)/C=C/C(=O)O1.
What is the InChIKey of (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The InChIKey is SSVNIYICRYPPEB-KQQUZDAGSA-N. The full InChI is InChI=1S/C14H20O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-12,15-16H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
(3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione has a molecular weight of 284.31 g/mol, XLogP of 0.48, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,9E)-5,11-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is sourced from PubChem (CID 5468288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).