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Home Other Building Blocks 3,3-DIMETHYL-2-BUTANOL

3,3-DIMETHYL-2-BUTANOL

CAS No.:
464-07-3
Catalog Number:
AG003ID9
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$48
- +
5g
98%
In Stock USA
United States
$85
- +
Product Description
Catalog Number:
AG003ID9
Chemical Name:
3,3-DIMETHYL-2-BUTANOL
CAS Number:
464-07-3
Molecular Formula:
C6H14O
Molecular Weight:
102.1748
MDL Number:
MFCD00004522
IUPAC Name:
3,3-dimethylbutan-2-ol
InChI:
InChI=1S/C6H14O/c1-5(7)6(2,3)4/h5,7H,1-4H3
InChI Key:
DFOXKPDFWGNLJU-UHFFFAOYSA-N
SMILES:
CC(C(C)(C)C)O
EC Number:
207-347-9
NSC Number:
939
Properties
Complexity:
51.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
102.104g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
102.177g/mol
Monoisotopic Mass:
102.104g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Dynamic multi-component covalent assembly for the reversible binding of secondary alcohols and chirality sensing. Nature chemistry 20111201
A novel gaseous pinacolyl alcohol sensor utilizing cataluminescence on alumina nanowires prepared by supercritical fluid drying. Analytica chimica acta 20080623
Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase. Protein science : a publication of the Protein Society 20020601
Enantioselectivity in Candida antarctica lipase B: a molecular dynamics study. Protein science : a publication of the Protein Society 20010201
Properties