1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene

C26H38O — CID 144710183

About 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene

1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene (PubChem CID 144710183) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene.

Molecular Properties

• Compound Name: 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene
• PubChem CID: 144710183
• Molecular Formula: C26H38O
• Molecular Weight: 366.59 g/mol
• Exact Mass: 366.29
• IUPAC Name: 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene
• SMILES: C=C(C)/C(C(=C)/C=C(/C)C/C(=C\C(C)C)C1C=CC=C(CC)C1)=C(/C)OC
• InChI: InChI=1S/C26H38O/c1-10-23-12-11-13-24(17-23)25(14-18(2)3)16-20(6)15-21(7)26(19(4)5)22(8)27-9/h11-15,18,24H,4,7,10,16-17H2,1-3,5-6,8-9H3/b20-15-,25-14+,26-22+
• InChIKey: LXQVWRGPARIRIS-LTCJPFQISA-N
• XLogP: 7.87
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.59
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene?

The IUPAC name of 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene (CID 144710183) is 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene.

What is the SMILES notation for 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene?

The canonical SMILES for 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene is C=C(C)/C(C(=C)/C=C(/C)C/C(=C\C(C)C)C1C=CC=C(CC)C1)=C(/C)OC.

What is the InChIKey of 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene?

The InChIKey is LXQVWRGPARIRIS-LTCJPFQISA-N. The full InChI is InChI=1S/C26H38O/c1-10-23-12-11-13-24(17-23)25(14-18(2)3)16-20(6)15-21(7)26(19(4)5)22(8)27-9/h11-15,18,24H,4,7,10,16-17H2,1-3,5-6,8-9H3/b20-15-,25-14+,26-22+.

What are the key properties of 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene?

1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene has a molecular weight of 366.59 g/mol, XLogP of 7.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-[(3E,6Z,9E)-10-methoxy-2,6-dimethyl-8-methylidene-9-prop-1-en-2-ylundeca-3,6,9-trien-4-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 144710183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).