2-(ethoxycarbonyl)-2-ethyl-3-methylhexanoic acid

2-(ethoxycarbonyl)-2-ethyl-3-methylhexanoic acid

CAS: 76-72-2

Formula: C12H22O4

SMILES: CCCC(C)C(CC)(C(O)=O)C(=O)OCC

IUPAC: 2-(ethoxycarbonyl)-2-ethyl-3-methylhexanoic acid

InChI: InChI=1/C12H22O4/c1-5-8-9(4)12(6-2,10(13)14)11(15)16-7-3/h9H,5-8H2,1-4H3,(H,13,14)

Composition: C (62.58%), H (9.63%), O (27.79%)

Molar Mass: 230.304

Atom Count: 38

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	230.151809188
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ICUDBEZIRXXJAE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.53
Topological Polar Surface Area	63.6
Polarizability	24.14
Ring Count	0
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	76-72-2		$164.57-$989.46$164.57$346.73$989.46