2,2-dimethylbutane-1,4-diol

2,2-dimethylbutane-1,4-diol

CAS: 32812-23-0

Formula: C6H14O2

SMILES: CC(C)(CO)CCO

IUPAC: 2,2-dimethylbutane-1,4-diol

InChI: InChI=1S/C6H14O2/c1-6(2,5-8)3-4-7/h7-8H,3-5H2,1-2H3

Composition: C (60.98%), H (11.94%), O (27.08%)

Molar Mass: 118.176

Atom Count: 22

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	118.099379691
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	GQSZUUPRBBBHRI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.93
Topological Polar Surface Area	40.46
Polarizability	13.03
Ring Count	0
Rotatable Bond Count	3

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