(3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione

C14H20O6 — CID 10660695

IUPAC(3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESC[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@H](O)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H20O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-12,15-16H,4,8H2,1-2H3/b5-3+,7-6+/t9-,10-,11-,12+/m1/s1
InChIKeySHQHOHRUGBYJBS-AQXUWWRFSA-N
MW284.31 g/mol
LogP0.48
Rot. Bonds

About (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione

(3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (PubChem CID 10660695) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.

Molecular Properties

Compound Name(3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
PubChem CID10660695
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione
SMILESC[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@H](O)[C@H](O)/C=C/C(=O)O1
InChIInChI=1S/C14H20O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-12,15-16H,4,8H2,1-2H3/b5-3+,7-6+/t9-,10-,11-,12+/m1/s1
InChIKeySHQHOHRUGBYJBS-AQXUWWRFSA-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,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione with MolForge

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Related Compounds

(5S,8R,13S,16R)-(-)-Pyrenophorol
CID 10935870
(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
CID 10039398
Modiolide A
CID 643697
Pectinolide C
CID 10038670
(3E,5S,6Z,8S,9Z,14S)-5-hydroxy-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one
CID 132525151
(3E,5S,6R,9E,14R)-5-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 11608885
Macrolactin A
CID 10949443
(5r,6s,16r,3e)-5,6-Dihydroxy-16-methyloxacyclohexadec-3-en-2-one
CID 15737231
(5R,6S,15S,16R,E)-5,6,15-Trihydroxy-16-methyloxacyclohexadec-3-en-2-one
CID 132967554
Bamemacrolactin E
CID 25154751
Chaxalactin B
CID 54671552
Pectinolide B
CID 10400831

Frequently Asked Questions

What is the IUPAC name of (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The IUPAC name of (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione (CID 10660695) is (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione.
What is the SMILES notation for (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The canonical SMILES for (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is C[C@@H]1C/C=C/C(=O)O[C@H](C)C[C@H](O)[C@H](O)/C=C/C(=O)O1.
What is the InChIKey of (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
The InChIKey is SHQHOHRUGBYJBS-AQXUWWRFSA-N. The full InChI is InChI=1S/C14H20O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-12,15-16H,4,8H2,1-2H3/b5-3+,7-6+/t9-,10-,11-,12+/m1/s1.
What are the key properties of (3E,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione?
(3E,6R,9E,11R,12S,14R)-11,12-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,6R,9E,11R,12S,14R)-11,12-dihydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8-dione is sourced from PubChem (CID 10660695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).