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4316-65-8,MFCD00026333
Catalog No.:AA003IGP
4316-65-8 | 3,5,5-Trimethyl-1-hexene
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1g
1 week  
$217.00   $152.00
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5g
1 week  
$533.00   $373.00
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10g
1 week  
$945.00   $662.00
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Technical Information
Catalog Number:
AA003IGP
Chemical Name:
3,5,5-Trimethyl-1-hexene
CAS Number:
4316-65-8
Molecular Formula:
C9H18
Molecular Weight:
126.2392
MDL Number:
MFCD00026333
IUPAC Name:
3,5,5-trimethylhex-1-ene
InChI:
InChI=1S/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H3
InChI Key:
JTXUVHFRSRTSAT-UHFFFAOYSA-N
SMILES:
C=CC(CC(C)(C)C)C
Properties
Computed Properties
 
Complexity:
84.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.141g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.243g/mol
Monoisotopic Mass:
126.141g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
3,5,5-Trimethyl-1-hexene 
4316-65-8 
CTK4I7125 
JTXUVHFRSRTSAT-UHFFFAOYSA-N 
8131AF 
ANW-29939 
FCH918841 
MFCD00026333 
AKOS006228027 
ACM4316658 
MCULE-7756364310 
TC-118684 
3,5,5-trimethylhex-1-ene 
I14-18962 
InChI=1/C9H18/c1-6-8(2)7-9(3,4)5/h6,8H,1,7H2,2-5H 
C9H18 
CID92984 
AR-1E9379 
C9-H18 
T0779 
469-38-5 
1-Hexene, 3,5,5-trimethyl- 
AC1Q1QXF 
ACMC-1AO1I 
AC1L3P8V 
3,5,5-Trimethylhexene-1 
1-Hexene,3,5,5-trimethyl- 
AC1Q2A68 
Literature
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