(5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C28H31NO6S — CID 11845098

About (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11845098) has the molecular formula C28H31NO6S and a molecular weight of 509.62 g/mol. Its IUPAC name is (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• PubChem CID: 11845098
• Molecular Formula: C28H31NO6S
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.19
• IUPAC Name: (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
• SMILES: C=CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1OC)O2
• InChI: InChI=1S/C28H31NO6S/c1-7-12-33-24-16(2)17(3)25-20(18(24)4)10-11-28(5,35-25)15-34-21-9-8-19(13-22(21)32-6)14-23-26(30)29-27(31)36-23/h7-9,13-14H,1,10-12,15H2,2-6H3,(H,29,30,31)/b23-14-/t28-/m1/s1
• InChIKey: XDMGZVFTNUJGRX-JOKIHGTQSA-N
• XLogP: 5.67
• TPSA: 83.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11845098) is (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is C=CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1OC)O2.

What is the InChIKey of (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

The InChIKey is XDMGZVFTNUJGRX-JOKIHGTQSA-N. The full InChI is InChI=1S/C28H31NO6S/c1-7-12-33-24-16(2)17(3)25-20(18(24)4)10-11-28(5,35-25)15-34-21-9-8-19(13-22(21)32-6)14-23-26(30)29-27(31)36-23/h7-9,13-14H,1,10-12,15H2,2-6H3,(H,29,30,31)/b23-14-/t28-/m1/s1.

What are the key properties of (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 509.62 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3-methoxy-4-[[(2R)-2,5,7,8-tetramethyl-6-prop-2-enoxy-3,4-dihydrochromen-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11845098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).