tert-butyl 8-hydroxyoctanoate

tert-butyl 8-hydroxyoctanoate

CAS: 401901-41-5

Formula: C12H24O3

SMILES: CC(C)(C)OC(=O)CCCCCCCO

IUPAC: tert-butyl 8-hydroxyoctanoate

InChI: InChI=1S/C12H24O3/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h13H,4-10H2,1-3H3

Composition: C (66.63%), H (11.18%), O (22.19%)

Molar Mass: 216.321

Atom Count: 39

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	216.172544633
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BFFNOXGQNLNKTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.78
Topological Polar Surface Area	46.53
Polarizability	24.22
Ring Count	0
Rotatable Bond Count	9

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