The Isopentenyl pyrophosphate, with the CAS registry number 358-71-4, is also known as Diphosphoric acid,P-(3-methyl-3-buten-1-yl) ester. This chemical's molecular formula is C₅H₁₂O₇P₂ and molecular weight is 246.09. What's more, its systematic name is 3-methylbut-3-en-1-yl trihydrogen diphosphate. It is an intermediate in the classical, HMG-CoA reductase pathway used by organisms in the biosynthesis of terpenes and terpenoids. It is formed from acetyl-CoA via mevalonic acid. It can then be isomerized to dimethylallyl pyrophosphate by the enzyme isopentenyl pyrophosphate isomerase.

Physical properties of Isopentenyl pyrophosphate are: (1)ACD/LogP: -1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.53; (4)ACD/LogD (pH 7.4): -6.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 99.91 Å²; (11)Index of Refraction: 1.496; (12)Molar Refractivity: 46.62 cm³; (13)Molar Volume: 159.5 cm³; (14)Surface Tension: 63.3 dyne/cm; (15)Density: 1.542 g/cm³; (16)Flash Point: 206 °C; (17)Enthalpy of Vaporization: 73.54 kJ/mol; (18)Boiling Point: 417 °C at 760 mmHg; (19)Vapour Pressure: 4.01E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. It is toxic by inhalation, in contact with skin and if swallowed. It is toxic as it has the danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. You should keep the container tightly closed. When using it, you need wear suitable protective clothing and gloves. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OP(=O)(O)O)(OCC\C(=C)C)O
(2)InChI: InChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
(3)InChIKey: NUHSROFQTUXZQQ-UHFFFAOYSA-N