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Home > Other Heterocycles > 129214-59-1
129214-59-1 | Spiro[4.5]decane-8,9-diol, 6-(hydroxymethyl)-10-methyl-2-(1-methylethenyl)-, (2R,5R,6R,8R,9R,10S)-
CAS No: 129214-59-1 Catalog No: AG000YXU MDL No:MFCD00076012
Product Description
Catalog Number:
AG000YXU
Chemical Name:
Spiro[4.5]decane-8,9-diol, 6-(hydroxymethyl)-10-methyl-2-(1-methylethenyl)-, (2R,5R,6R,8R,9R,10S)-
CAS Number:
129214-59-1
Molecular Formula:
C15H26O3
Molecular Weight:
254.3651
MDL Number:
MFCD00076012
IUPAC Name:
(3R,5R,6S,7R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
InChI:
InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,15+/m1/s1
InChI Key:
NPIIWZCGVADPIE-KYFQHEKYSA-N
SMILES:
OC[C@@H]1C[C@@H](O)[C@@H]([C@H]([C@]21CC[C@H](C2)C(=C)C)C)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
254.188g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.37g/mol
Monoisotopic Mass:
254.188g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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