bicyclo[6.1.0]non-4-yn-9-ylmethyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate

bicyclo[6.1.0]non-4-yn-9-ylmethyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate

CAS: 1807501-85-4

Formula: C17H27NO5

SMILES: OCCOCCOCCNC(=O)OCC1C2CCC#CCCC12

IUPAC: {bicyclo[6.1.0]non-4-yn-9-yl}methyl N-{2-[2-(2-hydroxyethoxy)ethoxy]ethyl}carbamate

InChI: InChI=1/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20)

Composition: C (62.75%), H (8.36%), N (4.30%), O (24.58%)

Molar Mass: 325.405

Atom Count: 50

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	325.188922973
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PEXDOIHAKXYTET-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.37
Topological Polar Surface Area	77.02
Polarizability	33.45
Ring Count	2
Rotatable Bond Count	11

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