(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione

C28H37FO6 — CID 88951997

IUPAC(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione
SMILESC/C=C\C=C/C(=C\C)/C(C)=C/C(O)=C1/C(=O)OC(C)C(F)/C=C\C(=O)C(O)C(O)CCC/C1=C/C
InChIInChI=1S/C28H37FO6/c1-6-9-10-12-20(7-2)18(4)17-25(32)26-21(8-3)13-11-14-23(30)27(33)24(31)16-15-22(29)19(5)35-28(26)34/h6-10,12,15-17,19,22-23,27,30,32-33H,11,13-14H2,1-5H3/b9-6-,12-10-,16-15-,18-17+,20-7+,21-8-,26-25-
InChIKeyWKWYDAZUIHQVKZ-YKEWHKNTSA-N
MW488.60 g/mol
LogP5.07
Rot. Bonds4

About (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione

(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione (PubChem CID 88951997) has the molecular formula C28H37FO6 and a molecular weight of 488.60 g/mol. Its IUPAC name is (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione.

Molecular Properties

Compound Name(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione
PubChem CID88951997
Molecular FormulaC28H37FO6
Molecular Weight488.60 g/mol
Exact Mass488.26
IUPAC Name(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione
SMILESC/C=C\C=C/C(=C\C)/C(C)=C/C(O)=C1/C(=O)OC(C)C(F)/C=C\C(=O)C(O)C(O)CCC/C1=C/C
InChIInChI=1S/C28H37FO6/c1-6-9-10-12-20(7-2)18(4)17-25(32)26-21(8-3)13-11-14-23(30)27(33)24(31)16-15-22(29)19(5)35-28(26)34/h6-10,12,15-17,19,22-23,27,30,32-33H,11,13-14H2,1-5H3/b9-6-,12-10-,16-15-,18-17+,20-7+,21-8-,26-25-
InChIKeyWKWYDAZUIHQVKZ-YKEWHKNTSA-N
XLogP5.07
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione?
The IUPAC name of (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione (CID 88951997) is (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione.
What is the SMILES notation for (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione?
The canonical SMILES for (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione is C/C=C\C=C/C(=C\C)/C(C)=C/C(O)=C1/C(=O)OC(C)C(F)/C=C\C(=O)C(O)C(O)CCC/C1=C/C.
What is the InChIKey of (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione?
The InChIKey is WKWYDAZUIHQVKZ-YKEWHKNTSA-N. The full InChI is InChI=1S/C28H37FO6/c1-6-9-10-12-20(7-2)18(4)17-25(32)26-21(8-3)13-11-14-23(30)27(33)24(31)16-15-22(29)19(5)35-28(26)34/h6-10,12,15-17,19,22-23,27,30,32-33H,11,13-14H2,1-5H3/b9-6-,12-10-,16-15-,18-17+,20-7+,21-8-,26-25-.
What are the key properties of (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione?
(3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione has a molecular weight of 488.60 g/mol, XLogP of 5.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z,11Z)-4-ethylidene-3-[(2E,4E,5Z,7Z)-4-ethylidene-1-hydroxy-3-methylnona-2,5,7-trienylidene]-13-fluoro-8,9-dihydroxy-14-methyl-1-oxacyclotetradec-11-ene-2,10-dione is sourced from PubChem (CID 88951997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).