(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione

C20H30O5 — CID 75368720

IUPAC(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione
SMILESCCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
InChIInChI=1S/C20H30O5/c1-7-17-20(6,24)9-8-16(21)12(2)10-13(3)18(22)14(4)11-15(5)19(23)25-17/h8-10,12,14-15,17,24H,7,11H2,1-6H3/b9-8+,13-10+
InChIKeyBIGBTKXKWUHWLH-PEGOPYGQSA-N
MW350.46 g/mol
LogP3.01
Rot. Bonds1

About (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione

(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione (PubChem CID 75368720) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione.

Molecular Properties

Compound Name(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione
PubChem CID75368720
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione
SMILESCCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O
InChIInChI=1S/C20H30O5/c1-7-17-20(6,24)9-8-16(21)12(2)10-13(3)18(22)14(4)11-15(5)19(23)25-17/h8-10,12,14-15,17,24H,7,11H2,1-6H3/b9-8+,13-10+
InChIKeyBIGBTKXKWUHWLH-PEGOPYGQSA-N
XLogP3.01
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione?
The IUPAC name of (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione (CID 75368720) is (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione.
What is the SMILES notation for (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione?
The canonical SMILES for (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione is CCC1OC(=O)C(C)CC(C)C(=O)/C(C)=C/C(C)C(=O)/C=C/C1(C)O.
What is the InChIKey of (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione?
The InChIKey is BIGBTKXKWUHWLH-PEGOPYGQSA-N. The full InChI is InChI=1S/C20H30O5/c1-7-17-20(6,24)9-8-16(21)12(2)10-13(3)18(22)14(4)11-15(5)19(23)25-17/h8-10,12,14-15,17,24H,7,11H2,1-6H3/b9-8+,13-10+.
What are the key properties of (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione?
(7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione has a molecular weight of 350.46 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-1-oxacyclotetradeca-7,11-diene-2,6,10-trione is sourced from PubChem (CID 75368720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).