Free Chemical Databases
-
[Synonyms]
7-Oxabicyclo(4.1.0)heptan-3-ol, 6-methyl-3-(1-methylethyl)-
58581-03-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 170.24872 [g/mol] Molecular Formula C10H18O2 XLogP 1.6 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 170.13068 MonoIsotopic Mass 170.13068 Topological Polar Surface Area 32.8 Heavy Atom Count 12 Formal Charge 0 Complexity 202 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 3 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptan-4-ol
Canonical SMILES: CC(C)C1(CCC2(C(C1)O2)C)O
InChI: InChI=1/C10H18O2/c1-7(2)10(11)5-4-9(3)8(6-10)12-9/h7-8,11H,4-6H2,1-3H3
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