1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

C27H40O2 — CID 90362259

About 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (PubChem CID 90362259) has the molecular formula C27H40O2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.

Molecular Properties

• Compound Name: 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
• PubChem CID: 90362259
• Molecular Formula: C27H40O2
• Molecular Weight: 396.62 g/mol
• Exact Mass: 396.30
• IUPAC Name: 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
• SMILES: C=CCc1cc(C)c(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)cc1OCOC
• InChI: InChI=1S/C27H40O2/c1-8-11-26-18-24(6)25(19-27(26)29-20-28-7)17-16-23(5)15-10-14-22(4)13-9-12-21(2)3/h8,12,14,16,18-19H,1,9-11,13,15,17,20H2,2-7H3/b22-14+,23-16-
• InChIKey: JAWQJZJCLVLNFZ-KVVAIAMGSA-N
• XLogP: 7.67
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.62
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?

The IUPAC name of 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (CID 90362259) is 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.

What is the SMILES notation for 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?

The canonical SMILES for 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is C=CCc1cc(C)c(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)cc1OCOC.

What is the InChIKey of 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?

The InChIKey is JAWQJZJCLVLNFZ-KVVAIAMGSA-N. The full InChI is InChI=1S/C27H40O2/c1-8-11-26-18-24(6)25(19-27(26)29-20-28-7)17-16-23(5)15-10-14-22(4)13-9-12-21(2)3/h8,12,14,16,18-19H,1,9-11,13,15,17,20H2,2-7H3/b22-14+,23-16-.

What are the key properties of 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?

1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene has a molecular weight of 396.62 g/mol, XLogP of 7.67, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(methoxymethoxy)-4-methyl-2-prop-2-enyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is sourced from PubChem (CID 90362259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).