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145400-02-8 | 1,4,6-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aR,6S,8aR)-
CAS No: 145400-02-8 Catalog No: AG001KUU MDL No:MFCD17214908
Product Description
Catalog Number:
AG001KUU
Chemical Name:
1,4,6-Naphthalenetriol, decahydro-4,8a-dimethyl-6-(1-methylethyl)-, (1R,4S,4aR,6S,8aR)-
CAS Number:
145400-02-8
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
MDL Number:
MFCD17214908
IUPAC Name:
(4R,4aR,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-2,3,4a,5,7,8-hexahydro-1H-naphthalene-1,4,6-triol
InChI:
InChI=1S/C15H28O3/c1-10(2)15(18)8-7-13(3)11(9-15)14(4,17)6-5-12(13)16/h10-12,16-18H,5-9H2,1-4H3/t11-,12?,13-,14-,15+/m1/s1
InChI Key:
HZQODNRPUJAVLV-ZWBVZUSMSA-N
SMILES:
CC([C@]1(O)CC[C@@]2([C@@H](C1)[C@@](C)(O)CC[C@H]2O)C)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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