(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde

C33H54O — CID 162436720

About (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde (PubChem CID 162436720) has the molecular formula C33H54O and a molecular weight of 466.79 g/mol. Its IUPAC name is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde.

Molecular Properties

• Compound Name: (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde
• PubChem CID: 162436720
• Molecular Formula: C33H54O
• Molecular Weight: 466.79 g/mol
• Exact Mass: 466.42
• IUPAC Name: (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde
• SMILES: C=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCC(C=O)C1
• InChI: InChI=1S/C18H28O.C15H26/c1-15(2)7-4-8-16(3)9-5-10-17-11-6-12-18(13-17)14-19;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h7,9,11,14,18H,4-6,8,10,12-13H2,1-3H3;9,12H,4,6-8,10-11H2,1-3,5H3/b16-9+;15-12+
• InChIKey: FCFHDXVIAHCSPN-GTTOFOQHSA-N
• XLogP: 10.81
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 14
• 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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde?

The IUPAC name of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde (CID 162436720) is (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde.

What is the SMILES notation for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde?

The canonical SMILES for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde is C=C(CC)CC/C=C(\C)CCC=C(C)C.CC(C)=CCC/C(C)=C/CCC1=CCCC(C=O)C1.

What is the InChIKey of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde?

The InChIKey is FCFHDXVIAHCSPN-GTTOFOQHSA-N. The full InChI is InChI=1S/C18H28O.C15H26/c1-15(2)7-4-8-16(3)9-5-10-17-11-6-12-18(13-17)14-19;1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h7,9,11,14,18H,4-6,8,10,12-13H2,1-3H3;9,12H,4,6-8,10-11H2,1-3,5H3/b16-9+;15-12+.

What are the key properties of (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde?

(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde has a molecular weight of 466.79 g/mol, XLogP of 10.81, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 162436720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).