(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione

C14H18O6 — CID 102239699

IUPAC(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESC[C@@H]1C/C=C\C(=O)O[C@H](C)C[C@@H](O)C(=O)/C=C\C(=O)O1
InChIInChI=1S/C14H18O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-10,12,16H,4,8H2,1-2H3/b5-3-,7-6-/t9-,10-,12-/m1/s1
InChIKeyCZZDNDKEYUQSIO-GBFWLAJPSA-N
MW282.29 g/mol
LogP0.69
Rot. Bonds

About (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione

(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (PubChem CID 102239699) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.

Molecular Properties

Compound Name(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
PubChem CID102239699
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESC[C@@H]1C/C=C\C(=O)O[C@H](C)C[C@@H](O)C(=O)/C=C\C(=O)O1
InChIInChI=1S/C14H18O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-10,12,16H,4,8H2,1-2H3/b5-3-,7-6-/t9-,10-,12-/m1/s1
InChIKeyCZZDNDKEYUQSIO-GBFWLAJPSA-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

Analyze (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione with MolForge

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Related Compounds

(3E,6R,9E,11R,14R)-11-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,5,8-trione
CID 10039398
Ufcywvgymrdumx-pkvxpvjzsa-
CID 11601572
(3E,5S,6R,9E,14R)-5-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
CID 11608885
Cladospolide D
CID 10966200
Grahamimycin A
CID 6441867
(3E,6S,16R)-6-hydroxy-16-methyl-1-oxacyclohexadec-3-ene-2,5-dione
CID 10517031
(2R,3S,4E,7S)-7-hydroxy-2-methyl-6,10-dioxo-3,6,7,8,9,10-hexahydro-2H-oxecin-3-yl (2E)-but-2-enoate
CID 15336474
7-Acetyl-seco-dihydropyrenophorin
CID 25067797
Acremonol
CID 42643178
Oxacyclododec-3-ene-2,5-dione, 6-hydroxy-12-methyl-, (3E,6S,12R)-
CID 134831654
Colletol
CID 139583671
(-)-Dihydropyrenophorin
CID 139586869

Frequently Asked Questions

What is the IUPAC name of (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The IUPAC name of (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (CID 102239699) is (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.
What is the SMILES notation for (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The canonical SMILES for (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is C[C@@H]1C/C=C\C(=O)O[C@H](C)C[C@@H](O)C(=O)/C=C\C(=O)O1.
What is the InChIKey of (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The InChIKey is CZZDNDKEYUQSIO-GBFWLAJPSA-N. The full InChI is InChI=1S/C14H18O6/c1-9-4-3-5-13(17)20-10(2)8-12(16)11(15)6-7-14(18)19-9/h3,5-7,9-10,12,16H,4,8H2,1-2H3/b5-3-,7-6-/t9-,10-,12-/m1/s1.
What are the key properties of (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
(3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-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 (3Z,6R,9Z,12R,14R)-12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is sourced from PubChem (CID 102239699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).