tert-butyl 2-[6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-butyl 2-[6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

CAS: 154026-94-5

Formula: C13H23ClO4

SMILES: CC(C)(C)OC(=O)CC1CC(CCl)OC(C)(C)O1

IUPAC: tert-butyl 2-[6-(chloromethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

InChI: InChI=1/C13H23ClO4/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10H,6-8H2,1-5H3

Composition: C (56.01%), H (8.32%), Cl (12.72%), O (22.96%)

Molar Mass: 278.77

Atom Count: 41

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	278.1284869
Formal Charge	0
FSP3	0.92
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	TXLXWCARAPIXGH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.67
Topological Polar Surface Area	44.76
Polarizability	27.99
Ring Count	1
Rotatable Bond Count	5

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