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ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate

ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate

CAS: 1166829-70-4

Formula: C16H27BO4

SMILES: CCOC(=O)CC1CCC(=CC1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate

InChI: InChI=1/C16H27BO4/c1-6-19-14(18)11-12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h9,12H,6-8,10-11H2,1-5H3

Composition: C (65.32%), H (9.25%), B (3.67%), O (21.75%)

Molar Mass: 294.2

Atom Count: 48

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 294.200239
Formal Charge 0
FSP3 0.81
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey QIAHVZXOVXLJRI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.62
Topological Polar Surface Area 44.76
Polarizability 32.63
Ring Count 2
Rotatable Bond Count 5

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