?-1-Hexyn-1-yl-?-methylcyclohexanemethanol

CAT: 0127-OR1076379-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1076379-03Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2276776-59-9

Purity

96%

Smiles

OC(C)(C1CCCCC1)C#CCCCC

Chemical Information

alpha-1-Hexyn-1-YL-alpha-methylcyclohexanemethanol

CAS Number	2276776-59-9
PubChem CID	171726838
IUPAC Name	2-cyclohexyloct-3-yn-2-ol
Molecular Formula	C14H24O
Molecular Weight	208.34
XLogP	4.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

CCCCC#CC(C)(C1CCCCC1)O

InChI

InChI=1S/C14H24O/c1-3-4-5-9-12-14(2,15)13-10-7-6-8-11-13/h13,15H,3-8,10-11H2,1-2H3

InChIKey

WZNZNOIZYKYMQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2276776-59-9

CID: 171726838

Formula: C14H24O

MW: 208.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.34
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	208.182715385
Monoisotopic Mass	208.182715385
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1077162-01	α- (6-Chloro-1-hexyn-1-yl) benzenemethanol
OR1077252-01	α-1-Hexyn-1-yl-α-methyl[1,1′-biphenyl]-4-methanol
OR1077097-01	Trans-4-Methylcyclohexanemethanol
OR1010459-01	2-Hexyn-1-ol
OR30592-01	5-Hexyn-1-ol
OR5514-01	3-Hexyn-1-ol
OR1083490-01	1-Phenyl-1-hexyn-3-one
OR1024878-01	1-Phenyl-1-Hexyn-3-Ol
OR1063837-01	3-Hexyn-1,6-diol
OR1097035-01	5-Methyl-1-phenyl-1-hexyn-3-ol

Catalog	Name
TRC-M335105-250MG	Methyl 2-(1-Hexyn-1-yl)benzoate
412953	2- (1-Hexyn-1-yl) benzoic Acid
454706-01	Methyl 2- (1-Hexyn-1-yl) benzoate
sc-239045	5-Hexyn-1-ol
TRC-H298300-25G	3-Hexyn-1-ol
JBA88503	4-Methylcyclohexanemethanol
FH29880-01	5-Hexyn-1-amine
sc-224695	1-Hexyn-3-ol
418151-01	2-Hexyn-1-ol
sc-222725	1-Phenyl-1-hexyn-3-ol