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

C14H18O6 — CID 10039398

IUPAC(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
SMILESC[C@@H]1CC[C@@H](O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C14H18O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-11,15H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11-/m1/s1
InChIKeyGEKLGAVADGRICH-NKVCOOAMSA-N
MW282.29 g/mol
LogP0.69
Rot. Bonds

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

(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione (PubChem CID 10039398) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione.

Molecular Properties

Compound Name(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
PubChem CID10039398
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
SMILESC[C@@H]1CC[C@@H](O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=O)O1
InChIInChI=1S/C14H18O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-11,15H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11-/m1/s1
InChIKeyGEKLGAVADGRICH-NKVCOOAMSA-N
XLogP0.69
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione?
The IUPAC name of (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione (CID 10039398) is (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione.
What is the SMILES notation for (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione?
The canonical SMILES for (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione is C[C@@H]1CC[C@@H](O)/C=C/C(=O)O[C@H](C)C(=O)/C=C/C(=O)O1.
What is the InChIKey of (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione?
The InChIKey is GEKLGAVADGRICH-NKVCOOAMSA-N. The full InChI is InChI=1S/C14H18O6/c1-9-3-4-11(15)5-7-14(18)20-10(2)12(16)6-8-13(17)19-9/h5-11,15H,3-4H2,1-2H3/b7-5+,8-6+/t9-,10-,11-/m1/s1.
What are the key properties of (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione?
(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione has a molecular weight of 282.29 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione is sourced from PubChem (CID 10039398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).