3-hydroxy-5,5-dimethyl-2-(3-methylbutanoyl)cyclohex-2-en-1-one

3-hydroxy-5,5-dimethyl-2-(3-methylbutanoyl)cyclohex-2-en-1-one

CAS: 172611-72-2

Formula: C13H20O3

SMILES: CC(C)CC(=O)C1=C(O)CC(C)(C)CC1=O

IUPAC: 3-hydroxy-5,5-dimethyl-2-(3-methylbutanoyl)cyclohex-2-en-1-one

InChI: InChI=1S/C13H20O3/c1-8(2)5-9(14)12-10(15)6-13(3,4)7-11(12)16/h8,15H,5-7H2,1-4H3

Composition: C (69.61%), H (8.99%), O (21.40%)

Molar Mass: 224.3

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	224.141244504
Formal Charge	0
FSP3	0.69
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LCINZOSXOOYXTM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.81
Topological Polar Surface Area	54.37
Polarizability	24.47
Ring Count	1
Rotatable Bond Count	3

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