(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

C20H32O6 — CID 6450304

IUPAC(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCCC1CC(C)C(=O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O
InChIInChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+
InChIKeyVWVDRJWACDDRKD-LQPGMRSMSA-N
MW368.47 g/mol
LogP2.18
Rot. Bonds2

About (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione

(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (PubChem CID 6450304) has the molecular formula C20H32O6 and a molecular weight of 368.47 g/mol. Its IUPAC name is (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.

Molecular Properties

Compound Name(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
PubChem CID6450304
Molecular FormulaC20H32O6
Molecular Weight368.47 g/mol
Exact Mass368.22
IUPAC Name(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SMILESCCC1CC(C)C(=O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O
InChIInChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+
InChIKeyVWVDRJWACDDRKD-LQPGMRSMSA-N
XLogP2.18
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione with MolForge

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Related Compounds

Fungichromin
CID 5282200
Filipin
CID 6433194
(3R,4S,5S,7R,9E,11R,12R)-12-Ethyl-4-hydroxy-3,5,7,11-tetramethyloxacyclododec-9-ene-2,8-dione
CID 5282031
Butyrolactol A
CID 6438414
Oxacyclooctacosa-17,21,23,25-pentaen-2-one, 4,6,8,10,12,14,15,16,27-nonahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-
CID 5358751
Filipin III
CID 25439
Narbonolide
CID 5282035
20-Deoxo-23-deoxytylonolide
CID 10250053
Filipin II
CID 101282739
Botcinic Acid
CID 11509607
Gladiolin
CID 139590156
CID 60196306
CID 60196306

Frequently Asked Questions

What is the IUPAC name of (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The IUPAC name of (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione (CID 6450304) is (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione.
What is the SMILES notation for (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The canonical SMILES for (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is CCC1CC(C)C(=O)/C=C/C=C/CC(C)OC(=O)CC(O)C(OC)C1O.
What is the InChIKey of (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
The InChIKey is VWVDRJWACDDRKD-LQPGMRSMSA-N. The full InChI is InChI=1S/C20H32O6/c1-5-15-11-13(2)16(21)10-8-6-7-9-14(3)26-18(23)12-17(22)20(25-4)19(15)24/h6-8,10,13-15,17,19-20,22,24H,5,9,11-12H2,1-4H3/b7-6+,10-8+.
What are the key properties of (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione?
(11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione has a molecular weight of 368.47 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (11E,13E)-7-ethyl-4,6-dihydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione is sourced from PubChem (CID 6450304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).