(7E)-tetradec-7-ene

• ChemBase ID: 151190
• Molecular Formular: C14H28
• Molecular Mass: 196.37212
• Monoisotopic Mass: 196.2191009
• SMILES: CCCCCC/C=C/CCCCCC
• Canonical SMILES: CCCCCC/C=C/CCCCCC
• InChI: InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h13-14H,3-12H2,1-2H3/b14-13+
• InChIKey: UBDIXSAEHLOROW-BUHFOSPRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (7E)-tetradec-7-ene
• IUPAC Traditional name: (7E)-tetradec-7-ene
• Synonyms: trans-7-Tetradecene; 反-7-十四烯

Database IDs

• CAS Number: 41446-63-3
• EC Number: 233-815-7
• MDL Number: MFCD00009550
• PubChem SID: 162245347; 24853640
• PubChem CID: 5364651

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.3257656
• LogD (pH = 7.4): 6.3257656
• Log P: 6.3257656
• Molar Refractivity: 67.3328 cm^3
• Polarizability: 26.37625 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 250 °C(lit.)
• Flash Point: 210.2 °F; 99 °C
• Density: 0.764 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.438(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)5CH=CH(CH2)5CH3

DETAILS

Sigma Aldrich - 227560

Packaging
5 g in glass bottle