[(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol

C34H56O — CID 162436727

About [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol

[(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol (PubChem CID 162436727) has the molecular formula C34H56O and a molecular weight of 480.82 g/mol. Its IUPAC name is [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

• Compound Name: [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol
• PubChem CID: 162436727
• Molecular Formula: C34H56O
• Molecular Weight: 480.82 g/mol
• Exact Mass: 480.43
• IUPAC Name: [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol
• SMILES: C=C(CC/C=C(\C)CCC=C(C)C)CC[C@@H]1C=C(CC/C=C(\C)CCC=C(C)C)C[C@@](C)(CO)C1
• InChI: InChI=1S/C34H56O/c1-27(2)13-9-15-29(5)17-11-18-31(7)21-22-33-23-32(24-34(8,25-33)26-35)20-12-19-30(6)16-10-14-28(3)4/h13-14,17,19,23,33,35H,7,9-12,15-16,18,20-22,24-26H2,1-6,8H3/b29-17+,30-19+/t33-,34-/m1/s1
• InChIKey: NGOZAUREZLUUBP-UBYKVRESSA-N
• XLogP: 10.60
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.82
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	1
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 [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol?

The IUPAC name of [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol (CID 162436727) is [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol.

What is the SMILES notation for [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol?

The canonical SMILES for [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol is C=C(CC/C=C(\C)CCC=C(C)C)CC[C@@H]1C=C(CC/C=C(\C)CCC=C(C)C)C[C@@](C)(CO)C1.

What is the InChIKey of [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol?

The InChIKey is NGOZAUREZLUUBP-UBYKVRESSA-N. The full InChI is InChI=1S/C34H56O/c1-27(2)13-9-15-29(5)17-11-18-31(7)21-22-33-23-32(24-34(8,25-33)26-35)20-12-19-30(6)16-10-14-28(3)4/h13-14,17,19,23,33,35H,7,9-12,15-16,18,20-22,24-26H2,1-6,8H3/b29-17+,30-19+/t33-,34-/m1/s1.

What are the key properties of [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol?

[(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 480.82 g/mol, XLogP of 10.60, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,5S)-5-[(6E)-7,11-dimethyl-3-methylidenedodeca-6,10-dienyl]-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-1-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 162436727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).