Home Other Building Blocks 2-heptyl-4-methyl-1,3-dioxane

2-heptyl-4-methyl-1,3-dioxane

CAS No.:
3271-56-5
Catalog Number:
AG0037O8
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
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Product Description
Catalog Number:
AG0037O8
Chemical Name:
2-heptyl-4-methyl-1,3-dioxane
CAS Number:
3271-56-5
Molecular Formula:
C12H24O2
Molecular Weight:
200.3178
IUPAC Name:
2-heptyl-4-methyl-1,3-dioxane
InChI:
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-12-13-10-9-11(2)14-12/h11-12H,3-10H2,1-2H3
InChI Key:
AZUIOWXOJBTWPR-UHFFFAOYSA-N
SMILES:
CCCCCCCC1OCCC(O1)C
NSC Number:
23494
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.178g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.322g/mol
Monoisotopic Mass:
200.178g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties