5,8,11,14-tetraoxa-2-azaheptadec-16-yne

5,8,11,14-tetraoxa-2-azaheptadec-16-yne

CAS: 1807530-11-5

Formula: C12H23NO4

SMILES: CNCCOCCOCCOCCOCC#C

IUPAC: 5,8,11,14-tetraoxa-2-azaheptadec-16-yne

InChI: InChI=1S/C12H23NO4/c1-3-5-14-7-9-16-11-12-17-10-8-15-6-4-13-2/h1,13H,4-12H2,2H3

Composition: C (58.75%), H (9.45%), N (5.71%), O (26.09%)

Molar Mass: 245.319

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	245.162708225
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	JHXPKKWHNGLMCM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.45
Topological Polar Surface Area	48.95
Polarizability	26.05
Ring Count	0
Rotatable Bond Count	13

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