(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol

• ChemBase ID: 131426
• Molecular Formular: C55H90O
• Molecular Mass: 767.3025
• Monoisotopic Mass: 766.6991675
• SMILES: CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C
• Canonical SMILES: OC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C)\C)\C)\C)\C
• InChI: InChI=1S/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,31,33,35,37,39,41,43,56H,13-22,24,26,28,30,32,34,36,38,40,42,44H2,1-12H3/b46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+,55-43+
• InChIKey: TXKJNHBRVLCYFX-RDQGWRCRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol
• IUPAC Traditional name: undecaprenol
• Synonyms: Undecaprenol; C55 异戊烯醇; 十一异戊烯醇

Database IDs

• CAS Number: 15575-14-1
• MDL Number: MFCD00133320
• PubChem SID: 162225704
• PubChem CID: 5280474

CALCULATED PROPERTIES

• Acid pKa: 16.330025
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 17.439812
• LogD (pH = 7.4): 17.439812
• Log P: 17.439812
• Molar Refractivity: 265.4055 cm^3
• Polarizability: 100.36227 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 31
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 45-46-20/21/22-36/37/38
• Safety Statements: 53-23-26-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H315-H319-H332-H335-H350
• GHS Precautionary statements: P201-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: -20°C