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900811-38-3 | (R)-4-(2-(Iodomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene
CAS No: 900811-38-3 Catalog No: AG006K34 MDL No:MFCD20528375
Product Description
Catalog Number:
AG006K34
Chemical Name:
(R)-4-(2-(Iodomethyl)-3-methylbutyl)-1-methoxy-2-(3-methoxypropoxy)benzene
CAS Number:
900811-38-3
Molecular Formula:
C17H27IO3
Molecular Weight:
406.2989
MDL Number:
MFCD20528375
IUPAC Name:
4-[(2R)-2-(iodomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
InChI:
InChI=1S/C17H27IO3/c1-13(2)15(12-18)10-14-6-7-16(20-4)17(11-14)21-9-5-8-19-3/h6-7,11,13,15H,5,8-10,12H2,1-4H3/t15-/m0/s1
InChI Key:
NHYWHLPBYQFEJU-HNNXBMFYSA-N
SMILES:
COCCCOc1cc(ccc1OC)C[C@H](C(C)C)CI
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.1g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.304g/mol
Monoisotopic Mass:
406.1g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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