3-hydroxy-5-(2-methylpropyl)cyclohex-2-en-1-one

3-hydroxy-5-(2-methylpropyl)cyclohex-2-en-1-one

CAS: 57641-95-9

Formula: C10H16O2

SMILES: CC(C)CC1CC(O)=CC(=O)C1

IUPAC: 3-hydroxy-5-(2-methylpropyl)cyclohex-2-en-1-one

InChI: InChI=1/C10H16O2/c1-7(2)3-8-4-9(11)6-10(12)5-8/h6-8,11H,3-5H2,1-2H3

Composition: C (71.39%), H (9.59%), O (19.02%)

Molar Mass: 168.236

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	168.115029755
Formal Charge	0
FSP3	0.7
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YBSDVKRBSSKROO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.69
Topological Polar Surface Area	37.3
Polarizability	18.87
Ring Count	1
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	57641-95-9		$51.35-$218.50$51.35$63.37$86.31$218.50