3,6,9,12,15,18-hexaoxahenicos-20-yn-1-amine

3,6,9,12,15,18-hexaoxahenicos-20-yn-1-amine

CAS: 1198080-04-4

Formula: C15H29NO6

SMILES: NCCOCCOCCOCCOCCOCCOCC#C

IUPAC: 3,6,9,12,15,18-hexaoxahenicos-20-yn-1-amine

InChI: InChI=1S/C15H29NO6/c1-2-4-17-6-8-19-10-12-21-14-15-22-13-11-20-9-7-18-5-3-16/h1H,3-16H2

Composition: C (56.41%), H (9.15%), N (4.39%), O (30.05%)

Molar Mass: 319.398

Atom Count: 51

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	319.199487658
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	USTJDUXGVRIRRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.76
Topological Polar Surface Area	81.4
Polarizability	33
Ring Count	0
Rotatable Bond Count	18

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