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methyl 5'-hydroxy-5,5-dimethyl-3',3'a,4',6'a-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-6'-carboxylate

methyl 5'-hydroxy-5,5-dimethyl-3',3'a,4',6'a-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-6'-carboxylate

CAS: 105448-66-6

Formula: C15H22O5

SMILES: COC(=O)C1=C(O)CC2CC3(CC12)OCC(C)(C)CO3

IUPAC: methyl 5'-hydroxy-5,5-dimethyl-3',3'a,4',6'a-tetrahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-6'-carboxylate

InChI: InChI=1/C15H22O5/c1-14(2)7-19-15(20-8-14)5-9-4-11(16)12(10(9)6-15)13(17)18-3/h9-10,16H,4-8H2,1-3H3

Composition: C (63.81%), H (7.85%), O (28.33%)

Molar Mass: 282.336

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 282.146723808
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XAPFNYSQNGFUNS-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.35
Topological Polar Surface Area 64.99
Polarizability 28.76
Ring Count 3
Rotatable Bond Count 2

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