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155485-76-0 | Tricyclo[6.3.1.02,5]dodecane-1,9-diol, 4,4,8-trimethyl-, (1R,2S,5R,8S,9S)-
CAS No: 155485-76-0 Catalog No: AG001NYF MDL No:MFCD20260762
Product Description
Catalog Number:
AG001NYF
Chemical Name:
Tricyclo[6.3.1.02,5]dodecane-1,9-diol, 4,4,8-trimethyl-, (1R,2S,5R,8S,9S)-
CAS Number:
155485-76-0
Molecular Formula:
C15H26O2
Molecular Weight:
238.3657
MDL Number:
MFCD20260762
IUPAC Name:
(1R,2S,5R,8S,9S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
InChI:
InChI=1S/C15H26O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12+,14+,15-/m1/s1
InChI Key:
SFJOMLIUSIKKRA-FUQNVFFISA-N
SMILES:
O[C@H]1CC[C@]2(C[C@]1(C)CC[C@@H]1[C@@H]2CC1(C)C)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
238.193g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.371g/mol
Monoisotopic Mass:
238.193g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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