2,5-dimethylhex-3-yne-2,5-diol

CAT: 1731-AP KN 0203-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:1731-AP KN 0203-01Size:1 mg

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CAS Number

142-30-3

MDL Number

MFCD00004468

Purity

0.95

Smiles

CC (C) (O) C#CC (C) (C) O

Shipping Conditions

Room temperature, no cold chain required

Chemical Information

2,5-Dimethyl-3-hexyne-2,5-diol

CAS Number	142-30-3
PubChem CID	8883
IUPAC Name	2,5-dimethylhex-3-yne-2,5-diol
Molecular Formula	C8H14O2
Molecular Weight	142.20
XLogP	0.1
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	160

SMILES

CC(C)(C#CC(C)(C)O)O

InChI

InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3

InChIKey

IHJUECRFYCQBMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 142-30-3

CID: 8883

Formula: C8H14O2

MW: 142.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	142.20
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	142.099379685
Monoisotopic Mass	142.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
AM UC 0717-01	1,1-diphenylbut-2-yne-1,4-diol
AN KA 1208-01	5- (2-aminoethyl) -3-methoxybenzene-1,2-diol
AP KR 0097-01	2- (hydroxymethyl) -5-phenyloxolane-3,4-diol
AP KR 0092-01	2- (3-fluorophenyl) -5- (hydroxymethyl) oxolane-3,4-diol
AP KR 0093-01	2- (hydroxymethyl) -5- (3-methoxyphenyl) oxolane-3,4-diol
AP KR 0574-01	1,2,3,4-tetrahydronaphthalene-1,5-diol
AQ BC 8122-01	3a-ethyl-6a-methyl-1,2,3,4,5,6-hexahydropentalene-2,5-diol
AQ BC 8081-01	3a,6a-dimethyl-2,5-diphenyl-1,3,4,6-tetrahydropentalene-2,5-diol
AQ A1 0027-01	(2R,3S) -2,3-diphenylbutane-2,3-diol
AP KR 0476-01	Naphthalene-1,5-diol

Catalog	Name
RG-A261345-01	2,5-Dimethylhex-3-Yne-2,5-Diol
OR933400-01	2,5-Dimethylhex-3-ene-2,5-diol
OR1030156-01	Hex-3-Yne-2,5-Diol
YPD27506-01	3- (Aminomethyl) -5,5-dimethylhex-1-yne hydrochloride
PC0775	1,1,1-Trifluoro-2,5,5-triphenylpent-3-yne-2,5-diol
DCA72335-01	2,2-Dimethylhex-5-yn-3-ol
RG-E141689-01	(E) -2,5-dimethylhex-3-ene
YDA55836-01	5,5-Dimethylhex-2-ynoic acid
PC0284	2-Methyl-5-phenyl-6,6,6-trifluorohex-3-yne-2,5-diol
PC5096	2- (2-Fluorophenyl) -5-phenyl-6,6,6-trifluorohex-3-yne-2,5-diol