2,2-Dimethyl-3-hexanol

CAT: 0024-sc-275205Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-275205Size:5 g

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CAS Number

4209-90-9

Chemical Information

2,2-Dimethylhexan-3-ol

CAS Number	4209-90-9
PubChem CID	98265
IUPAC Name	2,2-dimethylhexan-3-ol
Molecular Formula	C8H18O
Molecular Weight	130.23
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	71

SMILES

CCCC(C(C)(C)C)O

InChI

InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3

InChIKey

PFHLGQKVKALLMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4209-90-9

CID: 98265

Formula: C8H18O

MW: 130.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	130.23
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	130.135765193
Monoisotopic Mass	130.135765193
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	71.1
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
sc-485667	2,3-Dimethyl-2-hexanol
sc-266164	2,5-Dimethyl-3-hexanol
sc-275432	2,5-Dimethyl-2-hexanol
sc-276541	3,5-Dimethyl-3-hexanol
sc-266902	3,4-Dimethyl-2-hexanol, erythro + threo
sc-485668	3,4-Dimethyl-3-hexanol
sc-230514	2-Methyl-3-hexanol
sc-238062	2-Hexanol
sc-275206	2,2-Dimethyl-3-hexanone
sc-253370	(R) - (-) -2-Hexanol