(2R,5R) -2,5-Hexanediol

CAT: 0024-sc-238448Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238448Size:1 g

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CAS Number

17299-07-9

Chemical Information

2,5-Hexanediol, (2R,5R)-

(2R,5R)-hexanediol is a hexane-2,5-diol with R-configuration at both the C-2 and C-5 centres. It is an enantiomer of a (2S,5S)-hexanediol.

CAS Number	17299-07-9
PubChem CID	2733360
IUPAC Name	(2R,5R)-hexane-2,5-diol
Molecular Formula	C6H14O2
Molecular Weight	118.17
XLogP	0.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	46

SMILES

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

InChI

InChI=1S/C6H14O2/c1-5(7)3-4-6(2)8/h5-8H,3-4H2,1-2H3/t5-,6-/m1/s1

InChIKey

OHMBHFSEKCCCBW-PHDIDXHHSA-N

Chemical Structure

2D Structure

CAS: 17299-07-9

CID: 2733360

Formula: C6H14O2

MW: 118.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	118.17
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	118.099379685
Monoisotopic Mass	118.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	46.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-238389	2,5-Hexanediol
sc-256379	(2R,5R) - (-) -trans-2,5-Dimethylpyrrolidine
sc-288600	(2R,5R) - (+) -5-Vinyl-2-quinuclidinemethanol
sc-207981	(-) -N-Benzyl- (2R,5R) -2,5-dimethylpyrrolidine
sc-297989	(1R,2R,5R) -2-Isopropyl-5-methylcyclohexanamine
sc-223474	2,5-Dimethyl-2,5-hexanediol
sc-223474A	2,5-Dimethyl-2,5-hexanediol
sc-359838	(2R,5R) -Diphenylpyrrolidine
sc-222784	(-) -1,2-Bis ((2R,5R) -2,5-diphenylphospholano) ethane
sc-222803	(+) -1,2-Bis[ (2R,5R) -2,5-diethylphospholano]ethane

Catalog	Name
280177-01	(2R,5R) -2,5-Hexanediol
JH917028	2,5-Pyrrolidinedimethanol, (2R,5R) -
OR1077433	(2R,5R) -2,5-Diphenylpyrrolidine
OR302535	(2R,5R) -2,5-Dimethylpyrrolidine
D3600	(2R, 5R) -2, 5-Diphenylpyrrolidine
AR-C03409-01	(2R,5R) -2,5-dibenzylhexanediamide
OR1040717-01	(2R,5R) -2-methyl-5-phenylmorpholine
OR46574-01	(2R,5R) -Hexane-2,5-diol
TYC44958-01	(2R,5R) -5-Phenylpyrrolidine-2-carboxamide
OR1039550	(2R,5R) -2,5-Dimethylmorpholine hydrochloride