Home Other Building Blocks 2,4,4-Trimethyl-1-pentanol

2,4,4-Trimethyl-1-pentanol

CAS No.:
16325-63-6
Catalog Number:
AG001TYG
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$130
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Product Description
Catalog Number:
AG001TYG
Chemical Name:
2,4,4-Trimethyl-1-pentanol
CAS Number:
16325-63-6
Molecular Formula:
C8H18O
Molecular Weight:
130.2279
MDL Number:
MFCD00004741
IUPAC Name:
2,4,4-trimethylpentan-1-ol
InChI:
InChI=1S/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3
InChI Key:
ZNRVRWHPZZOTIE-UHFFFAOYSA-N
SMILES:
OCC(CC(C)(C)C)C
EC Number:
240-403-0
NSC Number:
24283
Properties
Complexity:
71.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Degradation of isooctane by Mycobacterium austroafricanum IFP 2173: growth and catabolic pathway. Journal of applied microbiology 20040101
Properties