3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde

C33H54O — CID 162436799

About 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde

3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde (PubChem CID 162436799) has the molecular formula C33H54O and a molecular weight of 466.79 g/mol. Its IUPAC name is 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde.

Molecular Properties

• Compound Name: 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde
• PubChem CID: 162436799
• Molecular Formula: C33H54O
• Molecular Weight: 466.79 g/mol
• Exact Mass: 466.42
• IUPAC Name: 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde
• SMILES: C=C(CC/C=C(\C)CCC=C(C)C)CCC1C=C(CC/C=C(\C)CCC=C(C)C)CCC1.C=O
• InChI: InChI=1S/C32H52.CH2O/c1-26(2)13-8-15-28(5)17-10-18-30(7)23-24-32-22-12-21-31(25-32)20-11-19-29(6)16-9-14-27(3)4;1-2/h13-14,17,19,25,32H,7-12,15-16,18,20-24H2,1-6H3;1H2/b28-17+,29-19+
• InChIKey: VNJNSAZMEBXEFE-ZBAXSOIUSA-N
• XLogP: 10.81
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 15
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.79
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde?

The IUPAC name of 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde (CID 162436799) is 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde.

What is the SMILES notation for 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde?

The canonical SMILES for 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde is C=C(CC/C=C(\C)CCC=C(C)C)CCC1C=C(CC/C=C(\C)CCC=C(C)C)CCC1.C=O.

What is the InChIKey of 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde?

The InChIKey is VNJNSAZMEBXEFE-ZBAXSOIUSA-N. The full InChI is InChI=1S/C32H52.CH2O/c1-26(2)13-8-15-28(5)17-10-18-30(7)23-24-32-22-12-21-31(25-32)20-11-19-29(6)16-9-14-27(3)4;1-2/h13-14,17,19,25,32H,7-12,15-16,18,20-24H2,1-6H3;1H2/b28-17+,29-19+;.

What are the key properties of 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde?

3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde has a molecular weight of 466.79 g/mol, XLogP of 10.81, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohexene;formaldehyde is sourced from PubChem (CID 162436799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).