methyl 1,4,9-trioxadispiro[4.2.4?.2?]tetradecane-10-carboxylate

methyl 1,4,9-trioxadispiro[4.2.4?.2?]tetradecane-10-carboxylate

CAS: 2177266-33-8

Formula: C13H20O5

SMILES: COC(=O)C1CCC2(CCC3(CC2)OCCO3)O1

IUPAC: methyl 1,4,9-trioxadispiro[4.2.4?.2?]tetradecane-10-carboxylate

InChI: InChI=1/C13H20O5/c1-15-11(14)10-2-3-12(18-10)4-6-13(7-5-12)16-8-9-17-13/h10H,2-9H2,1H3

Composition: C (60.92%), H (7.87%), O (31.21%)

Molar Mass: 256.298

Atom Count: 38

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	256.131073744
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	NQDGKQXXCYVOLN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.95
Topological Polar Surface Area	53.99
Polarizability	25.42
Ring Count	3
Rotatable Bond Count	2

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