B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)OC
CAS: 701232-69-1
Name: methyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)OC

Molecular Processing

Molecular formula
C21H31BO4
Molecular weight
358.29
Exact mass
358.2315
XLogP
3.82
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
103.49

Supplementary Information

InChIKey: LWEYCLIGHQDHIM-UHFFFAOYSA-N
Synonyme
701232-69-1Methyl 2-(trans-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetateMFCD186330772-[(1r,4r)-4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetate[4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]cyclohexyl]acetic acid methyl estermethyl 2-((1r,4r)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetatemethyl 2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexyl]acetateC21H31BO4Cyclohexaneacetic acid, 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, methyl ester, trans-methyl 2-(4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexyl)acetate{4-[4-(4,4,5,5-tetramethyl-(1,3,2]dioxaborolan-2-yl)-phenyl]-cyclohexyl}-acetic acid methyl ester{4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclohexyl}-acetic acid methyl ester{4-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl]-phenyl}-cyclohexyl)-acetic acid methyl esterSCHEMBL180724SCHEMBL384600LWEYCLIGHQDHIM-UHFFFAOYSA-NDTXSID501126682DTXSID901123616CS-M2223AKOS030632717CS-W000201SB17944DS-19247METHYL TRANS-2-[4-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]CYCLOHEXYL]ACETATESY263326DB-114612F31355F5177664-[(1R,4R)-4-(2-Methoxy-2-oxoethyl)cyclohexyl]phenylboronic Acid Pinacol EsterMethyl cis-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexaneacetate
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