3,4-dimethylhexane-3,4-diol

3,4-dimethylhexane-3,4-diol

CAS: 1185-02-0

Formula: C8H18O2

SMILES: CCC(C)(O)C(C)(O)CC

IUPAC: 3,4-dimethylhexane-3,4-diol

InChI: InChI=1/C8H18O2/c1-5-7(3,9)8(4,10)6-2/h9-10H,5-6H2,1-4H3

Composition: C (65.71%), H (12.41%), O (21.88%)

Molar Mass: 146.23

Atom Count: 28

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	146.13067982
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	RJOVKNVJGPMWDT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.72
Topological Polar Surface Area	40.46
Polarizability	16.7
Ring Count	0
Rotatable Bond Count	3

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