9-methoxy-5,9-dimethyldec-2-ene

• ChemBase ID: 128318
• Molecular Formular: C13H26O
• Molecular Mass: 198.34494
• Monoisotopic Mass: 198.19836545
• SMILES: CC(C)(OC)CCCC(C)C/C=C/C
• Canonical SMILES: C/C=C/CC(CCCC(OC)(C)C)C
• InChI: InChI=1S/C13H26O/c1-6-7-9-12(2)10-8-11-13(3,4)14-5/h6-7,12H,8-11H2,1-5H3
• InChIKey: PSIADPNXFFCZHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methoxy-5,9-dimethyldec-2-ene
• IUPAC Traditional name: 9-methoxy-5,9-dimethyldec-2-ene
• Synonyms: Methoprene; Altosie; Apee; Diacae; Dianee; Kabae; Minee; Pharorie; Precoe; ZR-515; Methoprene

Database IDs

• CAS Number: 40596-69-8
• PubChem SID: 162222626
• PubChem CID: 71308238; 5366546
• ATC CODE: QP53BD01
• KEGG ID: C14308
• Wikipedia Title: Methoprene

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.293541
• LogD (pH = 7.4): 4.293541
• Log P: 4.293541
• Molar Refractivity: 64.6133 cm^3
• Polarizability: 25.163712 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 100 °C at 0.05 mmHg