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85888-02-4 | 1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-
CAS No: 85888-02-4 Catalog No: AG004WVC MDL No:
Product Description
Catalog Number:
AG004WVC
Chemical Name:
1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-
CAS Number:
85888-02-4
Molecular Formula:
C16H34O6
Molecular Weight:
322.4376
IUPAC Name:
2,6,10-trimethyltridecane-1,3,5,7,11,13-hexol
InChI:
InChI=1S/C16H34O6/c1-10(13(19)6-7-17)4-5-14(20)12(3)16(22)8-15(21)11(2)9-18/h10-22H,4-9H2,1-3H3
InChI Key:
XKWORVDXHNQHIS-UHFFFAOYSA-N
SMILES:
OCCC(C(CCC(C(C(CC(C(CO)C)O)O)C)O)C)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.236g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
322.442g/mol
Monoisotopic Mass:
322.236g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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