(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione

C21H34O4 — CID 142177230

IUPAC(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
SMILESCC1=C\C(C)COC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1
InChIInChI=1S/C21H34O4/c1-14-8-7-9-15(2)11-17(4)20(24)21(5,6)18(22)12-19(23)25-13-16(3)10-14/h7-8,10,15-18,22H,9,11-13H2,1-6H3/b8-7+,14-10+
InChIKeyGPLBHZHZNDQYDD-ACLLVWJRSA-N
MW350.50 g/mol
LogP4.08
Rot. Bonds

About (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione

(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione (PubChem CID 142177230) has the molecular formula C21H34O4 and a molecular weight of 350.50 g/mol. Its IUPAC name is (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione.

Molecular Properties

Compound Name(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
PubChem CID142177230
Molecular FormulaC21H34O4
Molecular Weight350.50 g/mol
Exact Mass350.25
IUPAC Name(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
SMILESCC1=C\C(C)COC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1
InChIInChI=1S/C21H34O4/c1-14-8-7-9-15(2)11-17(4)20(24)21(5,6)18(22)12-19(23)25-13-16(3)10-14/h7-8,10,15-18,22H,9,11-13H2,1-6H3/b8-7+,14-10+
InChIKeyGPLBHZHZNDQYDD-ACLLVWJRSA-N
XLogP4.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione with MolForge

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Related Compounds

(11E)-4,14-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-11-ene-2,6-dione
CID 142802654
(4S,11E,13Z)-4-hydroxy-1,5,5,7,9,13-hexamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione
CID 142177252
(11E,13Z)-4-hydroxy-5,5,7,9,13-pentamethyl-1-azacyclohexadeca-11,13-diene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 142177218
(4S,7R,9S,13S)-4-hydroxy-5,5,7,9-tetramethyl-13-propyl-oxacyclohexadecane-2,6-dione;(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-amine
CID 143590719
7-hydroxy-8,8,10,12,18-pentamethyl-4-oxa-19-thia-17-azabicyclo[14.3.0]nonadeca-1(16),17-diene-5,9-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142191260
(13Z)-13-ethyl-4-hydroxy-5,5,7,9-tetramethyl-1-oxacyclohexadec-13-ene-2,6-dione;2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
CID 142099491
(4S,7R,8R,9S,13Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-1-oxacyclohexadec-13-ene-2,6-dione
CID 15970134
4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-11,13-diene-2,6,10-trione
CID 72968003
(1S,7S,10R,12R,13S,16R)-7,13-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 90686598
(4S,7R,8S,9S,10E,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-10-ene-2,6-dione
CID 58810580
(4S,7R,8S,9S,11E,16S)-4,8,14-trihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-11-ene-2,6-dione
CID 58594619
(4R)-4-methyloxolan-2-one
CID 5325910

Frequently Asked Questions

What is the IUPAC name of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The IUPAC name of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione (CID 142177230) is (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione.
What is the SMILES notation for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The canonical SMILES for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione is CC1=C\C(C)COC(=O)CC(O)C(C)(C)C(=O)C(C)CC(C)C\C=C\1.
What is the InChIKey of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The InChIKey is GPLBHZHZNDQYDD-ACLLVWJRSA-N. The full InChI is InChI=1S/C21H34O4/c1-14-8-7-9-15(2)11-17(4)20(24)21(5,6)18(22)12-19(23)25-13-16(3)10-14/h7-8,10,15-18,22H,9,11-13H2,1-6H3/b8-7+,14-10+.
What are the key properties of (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
(11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione has a molecular weight of 350.50 g/mol, XLogP of 4.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,13Z)-4-hydroxy-5,5,7,9,13,15-hexamethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione is sourced from PubChem (CID 142177230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).