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132296-20-9 | Phenol, 5-(1,1-dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]-
CAS No: 132296-20-9 Catalog No: AG0010HO MDL No:
Product Description
Catalog Number:
AG0010HO
Chemical Name:
Phenol, 5-(1,1-dimethylhexyl)-2-[(1S,3R)-3-hydroxycyclohexyl]-
CAS Number:
132296-20-9
Molecular Formula:
C20H32O2
Molecular Weight:
304.4669
IUPAC Name:
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methylheptan-2-yl)phenol
InChI:
InChI=1S/C20H32O2/c1-4-5-6-12-20(2,3)16-10-11-18(19(22)14-16)15-8-7-9-17(21)13-15/h10-11,14-15,17,21-22H,4-9,12-13H2,1-3H3/t15-,17+/m0/s1
InChI Key:
KQUGQXNYBWYGAI-DOTOQJQBSA-N
SMILES:
CCCCCC(c1ccc(c(c1)O)[C@H]1CCC[C@H](C1)O)(C)C
UNII:
DU5BQ63J05
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
304.24g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.474g/mol
Monoisotopic Mass:
304.24g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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