1,3-diethyl 2,2-bis(prop-2-yn-1-yl)propanedioate

1,3-diethyl 2,2-bis(prop-2-yn-1-yl)propanedioate

CAS: 2689-88-5

Formula: C13H16O4

SMILES: CCOC(=O)C(CC#C)(CC#C)C(=O)OCC

IUPAC: 1,3-diethyl 2,2-bis(prop-2-yn-1-yl)propanedioate

InChI: InChI=1S/C13H16O4/c1-5-9-13(10-6-2,11(14)16-7-3)12(15)17-8-4/h1-2H,7-10H2,3-4H3

Composition: C (66.09%), H (6.83%), O (27.09%)

Molar Mass: 236.267

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	236.104858995
Formal Charge	0
FSP3	0.54
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MYZCCWFBKBDURM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.43
Topological Polar Surface Area	52.6
Polarizability	24.05
Ring Count	0
Rotatable Bond Count	8

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