(6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

C22H34O2 — CID 162991962

About (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one

(6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (PubChem CID 162991962) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.

Molecular Properties

• Compound Name: (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
• PubChem CID: 162991962
• Molecular Formula: C22H34O2
• Molecular Weight: 330.51 g/mol
• Exact Mass: 330.26
• IUPAC Name: (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one
• SMILES: C=C/C(C)=C\C=C\[C@@](C)(CC/C=C(\C)CC(=O)C=C(C)C)OCC
• InChI: InChI=1S/C22H34O2/c1-8-19(5)12-10-14-22(7,24-9-2)15-11-13-20(6)17-21(23)16-18(3)4/h8,10,12-14,16H,1,9,11,15,17H2,2-7H3/b14-10+,19-12-,20-13+/t22-/m0/s1
• InChIKey: AZJSAFAWMUUZHG-FBPBFFBQSA-N
• XLogP: 6.12
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.51
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?

The IUPAC name of (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one (CID 162991962) is (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one.

What is the SMILES notation for (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?

The canonical SMILES for (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is C=C/C(C)=C\C=C\[C@@](C)(CC/C=C(\C)CC(=O)C=C(C)C)OCC.

What is the InChIKey of (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?

The InChIKey is AZJSAFAWMUUZHG-FBPBFFBQSA-N. The full InChI is InChI=1S/C22H34O2/c1-8-19(5)12-10-14-22(7,24-9-2)15-11-13-20(6)17-21(23)16-18(3)4/h8,10,12-14,16H,1,9,11,15,17H2,2-7H3/b14-10+,19-12-,20-13+/t22-/m0/s1.

What are the key properties of (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one?

(6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one has a molecular weight of 330.51 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6E,10R,11E,13Z)-10-ethoxy-2,6,10,14-tetramethylhexadeca-2,6,11,13,15-pentaen-4-one is sourced from PubChem (CID 162991962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).