1,4,9-trioxadispiro[4.2.4?.2?]tetradecane-10-carboxylic acid

1,4,9-trioxadispiro[4.2.4?.2?]tetradecane-10-carboxylic acid

CAS: 2177264-83-2

Formula: C12H18O5

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

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

InChI: InChI=1/C12H18O5/c13-10(14)9-1-2-11(17-9)3-5-12(6-4-11)15-7-8-16-12/h9H,1-8H2,(H,13,14)

Composition: C (59.49%), H (7.49%), O (33.02%)

Molar Mass: 242.271

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	242.11542368
Formal Charge	0
FSP3	0.92
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	WBGNOFJKWKAXDE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.18
Topological Polar Surface Area	64.99
Polarizability	23.35
Ring Count	3
Rotatable Bond Count	1

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