4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane

C16H23BO2 — CID 178201203

IUPAC4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@]2(C)C[C@H]2c2ccccc2)OC1(C)C
InChIInChI=1S/C16H23BO2/c1-14(2)15(3,4)19-17(18-14)16(5)11-13(16)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-,16+/m0/s1
InChIKeyVQORIJCYIWYIJC-XJKSGUPXSA-N
MW258.17 g/mol
LogP4.03
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane (PubChem CID 178201203) has the molecular formula C16H23BO2 and a molecular weight of 258.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane
PubChem CID178201203
Molecular FormulaC16H23BO2
Molecular Weight258.17 g/mol
Exact Mass258.18
IUPAC Name4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane
SMILESCC1(C)OB([C@]2(C)C[C@H]2c2ccccc2)OC1(C)C
InChIInChI=1S/C16H23BO2/c1-14(2)15(3,4)19-17(18-14)16(5)11-13(16)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-,16+/m0/s1
InChIKeyVQORIJCYIWYIJC-XJKSGUPXSA-N
XLogP4.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[3-phenyl-1-(2-phenylethyl)cyclobutyl]-1,3,2-dioxaborolane
CID 134821144
[(2R)-2-bromo-2-methylcyclopropyl]benzene
CID 166445339
dimethyl-phenyl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-bicyclo[1.1.1]pentanyl]silane
CID 154717065
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
2-[9,10-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,10-dihydroanthracen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 58142461
[(1R,2S)-1-methyl-2-phenylcyclopropyl]methanol
CID 10607081
4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
CID 57446162
(2-methyl-2-nitrosocyclopropyl)benzene
CID 88564269
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
4,4,5,5-tetramethyl-2-[3-(1-phenylcyclopropyl)-1-bicyclo[1.1.1]pentanyl]-1,3,2-dioxaborolane
CID 164510813
4,4,5,5-tetramethyl-2-(9-phenylfluoren-9-yl)-1,3,2-dioxaborolane
CID 176734595
2,2,5,5,6,6-hexamethyl-4-phenyloxasilinane
CID 174648738

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane (CID 178201203) is 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane is CC1(C)OB([C@]2(C)C[C@H]2c2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane?
The InChIKey is VQORIJCYIWYIJC-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H23BO2/c1-14(2)15(3,4)19-17(18-14)16(5)11-13(16)12-9-7-6-8-10-12/h6-10,13H,11H2,1-5H3/t13-,16+/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane has a molecular weight of 258.17 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(1S,2R)-1-methyl-2-phenylcyclopropyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 178201203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).