(2S,5S)-hexane-2,5-diol

(2S,5S)-hexane-2,5-diol

CAS: 34338-96-0

Formula: C6H14O2

SMILES: C[C@H](O)CC[C@H](C)O

IUPAC: (2S,5S)-hexane-2,5-diol

InChI: InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1

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	2
Exact Mass	118.099379691
Formal Charge	0
FSP3	1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OHMBHFSEKCCCBW-WDSKDSINSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.9
Topological Polar Surface Area	40.46
Polarizability	13.03
Ring Count	0
Rotatable Bond Count	3

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