4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane

C17H27BO2 — CID 165350697

IUPAC4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
SMILESCC(CCCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h6-8,11-12,14H,9-10,13H2,1-5H3
InChIKeyJCBQLBPIFAULJK-UHFFFAOYSA-N
MW274.21 g/mol
LogP4.49
Rot. Bonds5

About 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane (PubChem CID 165350697) has the molecular formula C17H27BO2 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
PubChem CID165350697
Molecular FormulaC17H27BO2
Molecular Weight274.21 g/mol
Exact Mass274.21
IUPAC Name4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
SMILESCC(CCCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h6-8,11-12,14H,9-10,13H2,1-5H3
InChIKeyJCBQLBPIFAULJK-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 54.49
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

(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
(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-[(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-[(3R)-5-phenylpent-1-en-3-yl]-1,3,2-dioxaborolane
CID 102582096
methoxy-dimethyl-[(1S)-3-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propyl]silane
CID 154719088
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
2-(1-isocyano-2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139593259
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
2-(methylamino)-N-[4-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]pentanamide
CID 174059811
4,4,5,5-tetramethyl-2-(5-phenylpent-1-ynyl)-1,3,2-dioxaborolane
CID 135048637

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane (CID 165350697) is 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane is CC(CCCc1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is JCBQLBPIFAULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BO2/c1-14(10-9-13-15-11-7-6-8-12-15)18-19-16(2,3)17(4,5)20-18/h6-8,11-12,14H,9-10,13H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 274.21 g/mol, XLogP of 4.49, 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-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 165350697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).