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13273-89-7 | 1,3-Dioxane, 5,5-dimethyl-2-pentyl-
CAS No: 13273-89-7 Catalog No: AG00112F MDL No:
Product Description
Catalog Number:
AG00112F
Chemical Name:
1,3-Dioxane, 5,5-dimethyl-2-pentyl-
CAS Number:
13273-89-7
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
IUPAC Name:
5,5-dimethyl-2-pentyl-1,3-dioxane
InChI:
InChI=1S/C11H22O2/c1-4-5-6-7-10-12-8-11(2,3)9-13-10/h10H,4-9H2,1-3H3
InChI Key:
CGNHGBLPANXVRL-UHFFFAOYSA-N
SMILES:
CCCCCC1OCC(CO1)(C)C
NSC Number:
23489
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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