1-ethyl 5-methyl pentanedioate

1-ethyl 5-methyl pentanedioate

CAS: 51503-30-1

Formula: C8H14O4

SMILES: CCOC(=O)CCCC(=O)OC

IUPAC: 1-ethyl 5-methyl pentanedioate

InChI: InChI=1S/C8H14O4/c1-3-12-8(10)6-4-5-7(9)11-2/h3-6H2,1-2H3

Composition: C (55.16%), H (8.10%), O (36.74%)

Molar Mass: 174.196

Atom Count: 26

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	174.089208931
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YHRUNAIXGSNSTP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.42
Topological Polar Surface Area	52.6
Polarizability	17.07
Ring Count	0
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	51503-30-1		$512.33-$1,361.03$512.33$851.81$1,361.03