9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.0²,?]undecan-10-one

9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.0²,?]undecan-10-one

CAS: 20513-98-8

Formula: C9H12O6

SMILES: CC1(C)OC2OC3C(O)C(=O)OC3C2O1

IUPAC: 9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.0²,?]undecan-10-one

InChI: InChI=1/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3

Composition: C (50.00%), H (5.60%), O (44.40%)

Molar Mass: 216.189

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	216.063388106
Formal Charge	0
FSP3	0.89
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	BDBGJSXZKMTMGP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.51
Topological Polar Surface Area	74.22
Polarizability	18.84
Ring Count	3
Rotatable Bond Count	0

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