12,15,18,21,24,27,30-heptaoxahentetraconta-1,40-diene

• ChemBase ID: 169881
• Molecular Formular: C34H66O7
• Molecular Mass: 586.88364
• Monoisotopic Mass: 586.48085445
• SMILES: C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCC=C
• InChI: InChI=1S/C34H66O7/c1-3-5-7-9-11-13-15-17-19-21-35-23-25-37-27-29-39-31-33-41-34-32-40-30-28-38-26-24-36-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-34H2
• InChIKey: LDPXXIGSLJSCNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12,15,18,21,24,27,30-heptaoxahentetraconta-1,40-diene
• IUPAC Traditional name: 12,15,18,21,24,27,30-heptaoxahentetraconta-1,40-diene
• Synonyms: 12,15,18,21,24,27,30-Heptaoxahentraconta-1,40-diene

Database IDs

• CAS Number: 887406-37-3
• PubChem SID: 162264013
• PubChem CID: 4465357

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 8.10648
• LogD (pH = 7.4): 8.10648
• Log P: 8.10648
• Molar Refractivity: 171.5229 cm^3
• Polarizability: 67.71055 Å^3
• Polar Surface Area: 64.61 Å^2
• Rotatable Bonds: 38
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Oil