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1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1?,¹².0³,?.0?,¹³]tetradecane-6,11-dione

1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1?,¹².0³,?.0?,¹³]tetradecane-6,11-dione

CAS: 124-87-8

Formula: C15H18O7

SMILES: CC(C)(O)C1C2OC(=O)C1C1(O)CC3OC33C(=O)OC2C13C

IUPAC: 1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1?,¹².0³,?.0?,¹³]tetradecane-6,11-dione

InChI: InChI=1/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3

Composition: C (58.06%), H (5.85%), O (36.09%)

Molar Mass: 310.302

Atom Count: 40

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 8
Exact Mass 310.10525292
Formal Charge 0
FSP3 0.87
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey RYEFFICCPKWYML-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.29
Topological Polar Surface Area 105.59
Polarizability 28.41
Ring Count 5
Rotatable Bond Count 1

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