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Home > Other Building Blocks > 113419-42-4
113419-42-4 | 1,3-Dioxolane, 2-(1-ethyl-3-buten-1-yl)-4-methyl-
CAS No: 113419-42-4 Catalog No: AG0008IK MDL No:
Product Description
Catalog Number:
AG0008IK
Chemical Name:
1,3-Dioxolane, 2-(1-ethyl-3-buten-1-yl)-4-methyl-
CAS Number:
113419-42-4
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
2-hex-5-en-3-yl-4-methyl-1,3-dioxolane
InChI:
InChI=1S/C10H18O2/c1-4-6-9(5-2)10-11-7-8(3)12-10/h4,8-10H,1,5-7H2,2-3H3
InChI Key:
CUKXNWSAQLYGQM-UHFFFAOYSA-N
SMILES:
C=CCC(C1OCC(O1)C)CC
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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