3-Heptanol, 3-methyl-

The 3-Heptanol, 3-methyl-, with the CAS registry number 5582-82-1, has the IUPAC name of 3-methylheptan-3-ol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₁₈O.

The characteristics of 3-Heptanol, 3-methyl- are as followings: (1)XLogP3-AA 2.5 ; (2)H-Bond Donor 1 ; (3)H-Bond Acceptor 1 ; (4)Rotatable Bond Count 4; (5)Exact Mass 130.135765; (6)MonoIsotopic Mass 130.135765; (7)Topological Polar Surface Area 20.2; (8)Heavy Atom Count 9; (9)Formal Charge 0; (10)Complexity 71; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 1; (14)Defined Bond StereoCenter Count 0; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 1; (17)Feature 3D Acceptor Count 1; (18)Feature 3D Donor Count 1; (19)Feature 3D Hydrophobe Count 2.

Preparation of 3-Heptanol, 3-methyl-: This chemical can be prepared by hexan-2-one and ethylmagnesium bromide. The reaction will need reagent diethyl ether. The reaction time is 0.5 hours, and the yield is about 40%.

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCCCC(C)(CC)O
(2)InChI: InChI=1S/C8H18O/c1-4-6-7-8(3,9)5-2/h9H,4-7H2,1-3H3
(3)InChIKey: PQOSNJHBSNZITJ-UHFFFAOYSA-N