16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione

C21H34O5 — CID 162889918

IUPAC16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
SMILESCCC1OC(=O)CC(O)C(C)C(=O)C(C)CC(C)C(O)C=CC=CC1C
InChIInChI=1S/C21H34O5/c1-6-19-13(2)9-7-8-10-17(22)14(3)11-15(4)21(25)16(5)18(23)12-20(24)26-19/h7-10,13-19,22-23H,6,11-12H2,1-5H3
InChIKeyFREPAPPMSLOSTN-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.05
Rot. Bonds1

About 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione

16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione (PubChem CID 162889918) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol. Its IUPAC name is 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione.

Molecular Properties

Compound Name16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
PubChem CID162889918
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione
SMILESCCC1OC(=O)CC(O)C(C)C(=O)C(C)CC(C)C(O)C=CC=CC1C
InChIInChI=1S/C21H34O5/c1-6-19-13(2)9-7-8-10-17(22)14(3)11-15(4)21(25)16(5)18(23)12-20(24)26-19/h7-10,13-19,22-23H,6,11-12H2,1-5H3
InChIKeyFREPAPPMSLOSTN-UHFFFAOYSA-N
XLogP3.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione with MolForge

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Related Compounds

(3R,4S,5S,7R,9Z,11R,12R)-12-ethyl-4-hydroxy-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 6441955
(4S,5R,6R,7S,9R,10S,11E,13E,16R)-7-ethyl-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
CID 163058120
CID 159220966
CID 159220966
(4R,5S,6S,7S,9R,11Z,13Z,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
CID 101280928
(5S,6S)-6-ethyl-5-methyloxane-2,4-dione
CID 71503715
(9E)-4-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-12-ethyl-3,5,7,11-tetramethyl-1-oxacyclododec-9-ene-2,8-dione
CID 20845996
(4S,5R)-5-heptyl-4-hydroxyoxolan-2-one
CID 102399491
[(4R,5S,6S,7R,9R,10R,11E,13E,15S,16R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-10-hydroxy-7-(2-hydroxyethyl)-5,9,13,15-tetramethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-4-yl] acetate
CID 163055495
(3R,5E,11E,14S)-14-ethyl-4,10-dihydroxy-3,5,9,11,13-pentamethyl-1-oxacyclotetradeca-5,11-diene-2,7-dione
CID 6444103
(4S,5R)-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 10820549
2-[(4R,6S,7R,9R,10R,11E,13E,16R)-4,6,10-trihydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
CID 177449586
(2S,4R,5E,7R,8S)-4,7,8-trihydroxy-2-methyl-2,3,4,7,8,9-hexahydrooxecin-10-one
CID 163094194

Frequently Asked Questions

What is the IUPAC name of 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The IUPAC name of 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione (CID 162889918) is 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione.
What is the SMILES notation for 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The canonical SMILES for 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione is CCC1OC(=O)CC(O)C(C)C(=O)C(C)CC(C)C(O)C=CC=CC1C.
What is the InChIKey of 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
The InChIKey is FREPAPPMSLOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O5/c1-6-19-13(2)9-7-8-10-17(22)14(3)11-15(4)21(25)16(5)18(23)12-20(24)26-19/h7-10,13-19,22-23H,6,11-12H2,1-5H3.
What are the key properties of 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione?
16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione has a molecular weight of 366.50 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-ethyl-4,10-dihydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,6-dione is sourced from PubChem (CID 162889918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).