Home Other Building Blocks 3,5,5-TRIMETHYL-1-HEXENE

3,5,5-TRIMETHYL-1-HEXENE

CAS No.:
4316-65-8
Catalog Number:
AG003IJH
Molecular Formula:
C9H18
Molecular Weight:
126.2392
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Product Description
Catalog Number:
AG003IJH
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
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  
Properties