4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane

C17H25BO2 — CID 102582096

IUPAC4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
SMILESC=C[C@@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BO2/c1-6-15(13-12-14-10-8-7-9-11-14)18-19-16(2,3)17(4,5)20-18/h6-11,15H,1,12-13H2,2-5H3/t15-/m0/s1
InChIKeyPYHCNBWHGUSEOK-HNNXBMFYSA-N
MW272.20 g/mol
LogP4.27
Rot. Bonds5

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

4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane (PubChem CID 102582096) has the molecular formula C17H25BO2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
PubChem CID102582096
Molecular FormulaC17H25BO2
Molecular Weight272.20 g/mol
Exact Mass272.19
IUPAC Name4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
SMILESC=C[C@@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H25BO2/c1-6-15(13-12-14-10-8-7-9-11-14)18-19-16(2,3)17(4,5)20-18/h6-11,15H,1,12-13H2,2-5H3/t15-/m0/s1
InChIKeyPYHCNBWHGUSEOK-HNNXBMFYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(E,3S)-5,6,6-trimethyl-1-phenylhept-4-en-3-yl]-1,3,2-dioxaborolane
CID 122232202
(1R)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142595987
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154719088
(1S)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine
CID 168919733
[(1R)-4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]azanium
CID 168920040
4,4,5,5-tetramethyl-2-[(E)-7-phenylhept-3-en-2-yl]-1,3,2-dioxaborolane
CID 101377681
(3R)-2-methylidene-6-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanamide
CID 177297164
4,4,5,5-tetramethyl-2-[(2R)-4-(4-phenylphenyl)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-1,3,2-dioxaborolane
CID 165416659
4,4,5,5-tetramethyl-2-[(2R)-1-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]-1,3,2-dioxaborolane
CID 101369795
4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
CID 177451955
(2S)-4-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butanenitrile
CID 146168343

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane (CID 102582096) is 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane is C=C[C@@H](CCc1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane?
The InChIKey is PYHCNBWHGUSEOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25BO2/c1-6-15(13-12-14-10-8-7-9-11-14)18-19-16(2,3)17(4,5)20-18/h6-11,15H,1,12-13H2,2-5H3/t15-/m0/s1.
What are the key properties of 4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane has a molecular weight of 272.20 g/mol, XLogP of 4.27, 5 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-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102582096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).