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

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

CAS: 17920-23-9

Formula: C10H14O4

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

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

InChI: InChI=1S/C10H14O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h1,8H,5-7H2,2-3H3

Composition: C (60.59%), H (7.12%), O (32.29%)

Molar Mass: 198.218

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	198.089208931
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FKXOELIKVUIBLP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.26
Topological Polar Surface Area	52.6
Polarizability	19.64
Ring Count	0
Rotatable Bond Count	7

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