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139895-98-0 | Cyclohexanol, 2,2,6-trimethyl-1-(1-methylpropyl)-
CAS No: 139895-98-0 Catalog No: AG001BS4 MDL No:
Product Description
Catalog Number:
AG001BS4
Chemical Name:
Cyclohexanol, 2,2,6-trimethyl-1-(1-methylpropyl)-
CAS Number:
139895-98-0
Molecular Formula:
C13H26O
Molecular Weight:
198.3449
IUPAC Name:
1-butan-2-yl-2,2,6-trimethylcyclohexan-1-ol
InChI:
InChI=1S/C13H26O/c1-6-10(2)13(14)11(3)8-7-9-12(13,4)5/h10-11,14H,6-9H2,1-5H3
InChI Key:
RSHUKBBFMRSTLG-UHFFFAOYSA-N
SMILES:
CCC(C1(O)C(C)CCCC1(C)C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.198g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.35g/mol
Monoisotopic Mass:
198.198g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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