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116415-48-6 | 1,5-Hexanediol, 3,5-dimethyl-, (R)- (9CI)
CAS No: 116415-48-6 Catalog No: AG000CFO MDL No:
Product Description
Catalog Number:
AG000CFO
Chemical Name:
1,5-Hexanediol, 3,5-dimethyl-, (R)- (9CI)
CAS Number:
116415-48-6
Molecular Formula:
C8H18O2
Molecular Weight:
146.2273
IUPAC Name:
3,5-dimethylhexane-1,5-diol
InChI:
InChI=1S/C8H18O2/c1-7(4-5-9)6-8(2,3)10/h7,9-10H,4-6H2,1-3H3
InChI Key:
MDVHFDLZNABHTQ-UHFFFAOYSA-N
SMILES:
OCC[C@H](CC(O)(C)C)C
Properties
Complexity:
89.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.131g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.23g/mol
Monoisotopic Mass:
146.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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