methyl tetradec-9-ynoate

• ChemBase ID: 131831
• Molecular Formular: C15H26O2
• Molecular Mass: 238.36574
• Monoisotopic Mass: 238.19328007
• SMILES: CCCCC#CCCCCCCCC(=O)OC
• Canonical SMILES: CCCCC#CCCCCCCCC(=O)OC
• InChI: InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-5,8-14H2,1-2H3
• InChIKey: KKPNKVPBWQJZOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl tetradec-9-ynoate
• IUPAC Traditional name: methyl tetradec-9-ynoate
• Synonyms: TIP39

Database IDs

• MDL Number: MFCD02689182
• PubChem SID: 162226108
• PubChem CID: 557205

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0980463
• LogD (pH = 7.4): 5.0980463
• Log P: 5.0980463
• Molar Refractivity: 72.0121 cm^3
• Polarizability: 28.026962 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Pharmacology Properties

• Gene Information: human ... PTH2(113091)

DETAILS

Sigma Aldrich - T8407

Amino Acid Sequence
Ser-Leu-Ala-Leu-Ala-Asp-Asp-Ala-Ala-Phe-Arg-Glu-Arg-Ala-Arg-Leu-Leu-Ala-Ala-Leu-Glu-Arg-Arg-His-Trp-Leu-Asn-Ser-Tyr-Met-His-Lys-Leu-Leu-Val-Leu-Asp-Ala-Pro
Biochem/physiol Actions
Parathyroid hormone 2 receptor ligand