2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H23BO4 — CID 129322956

IUPAC2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2[C@@H]2COCCO2)OC1(C)C
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)13-8-6-5-7-12(13)14-11-18-9-10-19-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyZKEBHOGKPPHELX-AWEZNQCLSA-N
MW290.17 g/mol
LogP2.07
Rot. Bonds2

About 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 129322956) has the molecular formula C16H23BO4 and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID129322956
Molecular FormulaC16H23BO4
Molecular Weight290.17 g/mol
Exact Mass290.17
IUPAC Name2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccccc2[C@@H]2COCCO2)OC1(C)C
InChIInChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)13-8-6-5-7-12(13)14-11-18-9-10-19-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyZKEBHOGKPPHELX-AWEZNQCLSA-N
XLogP2.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,4-dioxan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121207226
2-[2-(1,4,7,10,13,16-hexaoxacyclooctadec-2-yl)phenyl]-1,3,2-dioxaborolane
CID 542514
2-anthracen-1-yl-1,4-dioxane
CID 87717766
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-[2-(1,4-dioxan-2-yl)phenyl]ethanamine
CID 57234479
2-[5-cyclopropyl-2-(oxolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172645567
4,4,5,5-tetramethyl-2-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 122382855
2-(1,4-dioxan-2-yl)-6-methylbenzaldehyde
CID 175259315
bromozinc(1+);2-(2-methanidylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146002621
4,4,5,5-tetramethyl-2-(2-prop-1-ynylphenyl)-1,3,2-dioxaborolane
CID 155819607
2-[4-cyclopropyl-3-(oxolan-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172645354
4,4,5,5-tetramethyl-2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-yl)-1,3,2-dioxaborolane
CID 71528395

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 129322956) is 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccccc2[C@@H]2COCCO2)OC1(C)C.
What is the InChIKey of 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZKEBHOGKPPHELX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23BO4/c1-15(2)16(3,4)21-17(20-15)13-8-6-5-7-12(13)14-11-18-9-10-19-14/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.17 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1,4-dioxan-2-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 129322956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).