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Home > Other Heterocycles > 21653-18-9
21653-18-9 | Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3R,4R,5R)-
CAS No: 21653-18-9 Catalog No: AG0070E7 MDL No:
Product Description
Catalog Number:
AG0070E7
Chemical Name:
Bicyclo[3.1.0]hexan-3-ol, 4-methyl-1-(1-methylethyl)-, (1S,3R,4R,5R)-
CAS Number:
21653-18-9
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(1S,3R,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
InChI:
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChI Key:
DZVXRFMREAADPP-KYXWUPHJSA-N
SMILES:
O[C@@H]1C[C@]2([C@@H]([C@H]1C)C2)C(C)C
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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