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

C14H18O6 — CID 73208039

IUPAC12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESCC1CC=CC(=O)OC(C)CC(O)C(=O)C=CC(=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
InChIKeyCZZDNDKEYUQSIO-UHFFFAOYSA-N
MW282.29 g/mol
LogP0.69
Rot. Bonds

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

12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (PubChem CID 73208039) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.

Molecular Properties

Compound Name12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
PubChem CID73208039
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione
SMILESCC1CC=CC(=O)OC(C)CC(O)C(=O)C=CC(=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
InChIKeyCZZDNDKEYUQSIO-UHFFFAOYSA-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 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The IUPAC name of 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione (CID 73208039) is 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione.
What is the SMILES notation for 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The canonical SMILES for 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is CC1CC=CC(=O)OC(C)CC(O)C(=O)C=CC(=O)O1.
What is the InChIKey of 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
The InChIKey is CZZDNDKEYUQSIO-UHFFFAOYSA-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.
What are the key properties of 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione?
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 12-hydroxy-6,14-dimethyl-1,7-dioxacyclotetradeca-3,9-diene-2,8,11-trione is sourced from PubChem (CID 73208039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).