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ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate

ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate

CAS: 1049004-32-1

Formula: C15H25BO4

SMILES: CCOC(=O)C1CCC(=CC1)B1OC(C)(C)C(C)(C)O1

IUPAC: ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylate

InChI: InChI=1/C15H25BO4/c1-6-18-13(17)11-7-9-12(10-8-11)16-19-14(2,3)15(4,5)20-16/h9,11H,6-8,10H2,1-5H3

Composition: C (64.31%), H (8.99%), B (3.86%), O (22.84%)

Molar Mass: 280.17

Atom Count: 45

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 280.184589
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZREZDODZGZVRBD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.05
Topological Polar Surface Area 44.76
Polarizability 30.79
Ring Count 2
Rotatable Bond Count 4

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