(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione

C24H29FO8 — CID 89025127

IUPAC(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
SMILESCOCOc1cc(OC)cc2c1C(=O)OC(C)C/C=C(/F)C(=O)C1OC(C)(C)O[C@H]1C/C=C/2
InChIInChI=1S/C24H29FO8/c1-14-9-10-17(25)21(26)22-18(32-24(2,3)33-22)8-6-7-15-11-16(29-5)12-19(30-13-28-4)20(15)23(27)31-14/h6-7,10-12,14,18,22H,8-9,13H2,1-5H3/b7-6+,17-10+/t14?,18-,22?/m0/s1
InChIKeyDQLDEECRWPZMPL-LWVNMZDUSA-N
MW464.49 g/mol
LogP3.97
Rot. Bonds4

About (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione

(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione (PubChem CID 89025127) has the molecular formula C24H29FO8 and a molecular weight of 464.49 g/mol. Its IUPAC name is (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione.

Molecular Properties

Compound Name(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
PubChem CID89025127
Molecular FormulaC24H29FO8
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
SMILESCOCOc1cc(OC)cc2c1C(=O)OC(C)C/C=C(/F)C(=O)C1OC(C)(C)O[C@H]1C/C=C/2
InChIInChI=1S/C24H29FO8/c1-14-9-10-17(25)21(26)22-18(32-24(2,3)33-22)8-6-7-15-11-16(29-5)12-19(30-13-28-4)20(15)23(27)31-14/h6-7,10-12,14,18,22H,8-9,13H2,1-5H3/b7-6+,17-10+/t14?,18-,22?/m0/s1
InChIKeyDQLDEECRWPZMPL-LWVNMZDUSA-N
XLogP3.97
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 91041500
(14S)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 91610549
(5R,11Z)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraene-10,16-dione
CID 58750064
(5S)-10-hydroxy-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-13-(trifluoromethyl)-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 91024332
(5S)-20-methoxy-18-(methoxymethoxy)-7,7,13-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,12,18,20-pentaene-10,16-dione
CID 90802616
(2E,5S,9S,11Z,14S)-18-hydroxy-20-methoxy-7,7,14-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione;(2E,5S,9S,11Z,14S)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8-dioxa-15-azatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
CID 158419290
(2E,5S,9R,11Z,13R,14S)-20-(difluoromethoxy)-10-hydroxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 59467074
(5S,9R,11Z,13R,14S)-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,10,13,14-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one
CID 173470810
(2E,5S,9S,11Z,13R,14S)-20-(difluoromethoxy)-18-(methoxymethoxy)-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione;(4S,5R,6Z,12E)-16-(difluoromethoxy)-9,10,18-trihydroxy-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 159772976
(5S,11Z)-10-hydroxy-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraen-16-one;(5S,11Z)-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),11,18,20-tetraene-10,16-dione
CID 162216827
[(5S,13R,14S)-20-methoxy-18-(methoxymethoxy)-7,7,13,14-tetramethyl-16-oxo-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-10-yl] benzoate
CID 90833514
(2E,11Z,13R)-10-hydroxy-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaen-16-one;methane;(2E,11Z,13R)-18-(methoxymethoxy)-20-[(4-methoxyphenyl)methoxy]-7,7,13,14-tetramethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione
CID 159794507

Frequently Asked Questions

What is the IUPAC name of (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The IUPAC name of (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione (CID 89025127) is (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione.
What is the SMILES notation for (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The canonical SMILES for (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione is COCOc1cc(OC)cc2c1C(=O)OC(C)C/C=C(/F)C(=O)C1OC(C)(C)O[C@H]1C/C=C/2.
What is the InChIKey of (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
The InChIKey is DQLDEECRWPZMPL-LWVNMZDUSA-N. The full InChI is InChI=1S/C24H29FO8/c1-14-9-10-17(25)21(26)22-18(32-24(2,3)33-22)8-6-7-15-11-16(29-5)12-19(30-13-28-4)20(15)23(27)31-14/h6-7,10-12,14,18,22H,8-9,13H2,1-5H3/b7-6+,17-10+/t14?,18-,22?/m0/s1.
What are the key properties of (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione?
(2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione has a molecular weight of 464.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S,11E)-11-fluoro-20-methoxy-18-(methoxymethoxy)-7,7,14-trimethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(17),2,11,18,20-pentaene-10,16-dione is sourced from PubChem (CID 89025127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).