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188357-49-5 | 1,3-Dioxepin, 4,7-dihydro-2-(1,1,4-trimethyl-3-penten-1-yl)-
CAS No: 188357-49-5 Catalog No: AG002GU3 MDL No:
Product Description
Catalog Number:
AG002GU3
Chemical Name:
1,3-Dioxepin, 4,7-dihydro-2-(1,1,4-trimethyl-3-penten-1-yl)-
CAS Number:
188357-49-5
Molecular Formula:
C13H22O2
Molecular Weight:
210.3126
IUPAC Name:
2-(2,5-dimethylhex-4-en-2-yl)-4,7-dihydro-1,3-dioxepine
InChI:
InChI=1S/C13H22O2/c1-11(2)7-8-13(3,4)12-14-9-5-6-10-15-12/h5-7,12H,8-10H2,1-4H3
InChI Key:
JXVMHAJPZUNOHO-UHFFFAOYSA-N
SMILES:
CC(=CCC(C1OCC=CCO1)(C)C)C
EC Number:
480-360-7
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.162g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.317g/mol
Monoisotopic Mass:
210.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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