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178251-63-3 | Cyclohexane, 2-(2-buten-1-yl)-1,1,3-trimethyl-
CAS No: 178251-63-3 Catalog No: AG0025VV MDL No:
Product Description
Catalog Number:
AG0025VV
Chemical Name:
Cyclohexane, 2-(2-buten-1-yl)-1,1,3-trimethyl-
CAS Number:
178251-63-3
Molecular Formula:
C13H24
Molecular Weight:
180.3297
IUPAC Name:
2-but-2-enyl-1,1,3-trimethylcyclohexane
InChI:
InChI=1S/C13H24/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,11-12H,7-10H2,1-4H3
InChI Key:
SJSPKMBQQARKSE-UHFFFAOYSA-N
SMILES:
CC=CCC1C(C)CCCC1(C)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.188g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.335g/mol
Monoisotopic Mass:
180.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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