(6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione

C27H39NO5S — CID 21341838

About (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione

(6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione (PubChem CID 21341838) has the molecular formula C27H39NO5S and a molecular weight of 489.68 g/mol. Its IUPAC name is (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione.

Molecular Properties

• Compound Name: (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione
• PubChem CID: 21341838
• Molecular Formula: C27H39NO5S
• Molecular Weight: 489.68 g/mol
• Exact Mass: 489.25
• IUPAC Name: (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione
• SMILES: C/C(=C\c1csc(C)n1)C1CC2OCC2CCCC(C)C(O)C(C)C(=O)C(C)(C)/C=C\C(=O)O1
• InChI: InChI=1S/C27H39NO5S/c1-16-8-7-9-20-14-32-23(20)13-22(17(2)12-21-15-34-19(4)28-21)33-24(29)10-11-27(5,6)26(31)18(3)25(16)30/h10-12,15-16,18,20,22-23,25,30H,7-9,13-14H2,1-6H3/b11-10-,17-12+
• InChIKey: XXGYPXSNMNZRAJ-WUSHYMHTSA-N
• XLogP: 5.14
• TPSA: 85.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.68
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione?

The IUPAC name of (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione (CID 21341838) is (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione.

What is the SMILES notation for (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione?

The canonical SMILES for (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione is C/C(=C\c1csc(C)n1)C1CC2OCC2CCCC(C)C(O)C(C)C(=O)C(C)(C)/C=C\C(=O)O1.

What is the InChIKey of (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione?

The InChIKey is XXGYPXSNMNZRAJ-WUSHYMHTSA-N. The full InChI is InChI=1S/C27H39NO5S/c1-16-8-7-9-20-14-32-23(20)13-22(17(2)12-21-15-34-19(4)28-21)33-24(29)10-11-27(5,6)26(31)18(3)25(16)30/h10-12,15-16,18,20,22-23,25,30H,7-9,13-14H2,1-6H3/b11-10-,17-12+.

What are the key properties of (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione?

(6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione has a molecular weight of 489.68 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6Z)-11-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,18-dioxabicyclo[14.2.0]octadec-6-ene-5,9-dione is sourced from PubChem (CID 21341838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).