1,4-dibutyl 2-butoxybutanedioate

1,4-dibutyl 2-butoxybutanedioate

CAS: 63842-87-5

Formula: C16H30O5

SMILES: CCCCOC(CC(=O)OCCCC)C(=O)OCCCC

IUPAC: 1,4-dibutyl 2-butoxybutanedioate

InChI: InChI=1/C16H30O5/c1-4-7-10-19-14(16(18)21-12-9-6-3)13-15(17)20-11-8-5-2/h14H,4-13H2,1-3H3

Composition: C (63.55%), H (10.00%), O (26.45%)

Molar Mass: 302.411

Atom Count: 51

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	302.209324066
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GGAWXQQNQGESAW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.79
Topological Polar Surface Area	61.83
Polarizability	32.44
Ring Count	0
Rotatable Bond Count	15

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