2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H33BO2 — CID 154719857

IUPAC2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC1(CCC)CC(CB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C17H33BO2/c1-7-9-17(10-8-2)11-14(12-17)13-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3
InChIKeyJFPCYCRBBJGZFO-UHFFFAOYSA-N
MW280.26 g/mol
LogP5.08
Rot. Bonds6

About 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154719857) has the molecular formula C17H33BO2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154719857
Molecular FormulaC17H33BO2
Molecular Weight280.26 g/mol
Exact Mass280.26
IUPAC Name2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC1(CCC)CC(CB2OC(C)(C)C(C)(C)O2)C1
InChIInChI=1S/C17H33BO2/c1-7-9-17(10-8-2)11-14(12-17)13-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3
InChIKeyJFPCYCRBBJGZFO-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.08
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-(propan-2-yl)bicyclo[1.1.1]pentan-1-yl]-1,3,2-dioxaborolane
CID 137944568
2-(1-Cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821159
4,4,5,5-Tetramethyl-2-[[2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]spiro[3.3]heptan-6-yl]methyl]-1,3,2-dioxaborolane
CID 138976597
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
(+/-)-2-(2-Cyclopropyl-3-isopropylbicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009368
4,4,5,5-Tetramethyl-2-(spiro[3.4]octan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162408040
4,4,5,5-Tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162409705
4,4,5,5-Tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane
CID 162413644
2-([1,1'-Bi(bicyclo[1.1.1]pentan)]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510804
4,4,5,5-Tetramethyl-2-(3-(2-(3-methylcyclopentyl)propan-2-yl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510819
4,4,5,5-Tetramethyl-2-(3-(1-methylcyclohexyl)bicyclo[1.1.1]pentan-1-yl)-1,3,2-dioxaborolane
CID 164510842
2-(3-(Cyclopentylmethyl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510867

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154719857) is 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC1(CCC)CC(CB2OC(C)(C)C(C)(C)O2)C1.
What is the InChIKey of 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is JFPCYCRBBJGZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BO2/c1-7-9-17(10-8-2)11-14(12-17)13-18-19-15(3,4)16(5,6)20-18/h14H,7-13H2,1-6H3.
What are the key properties of 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 280.26 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154719857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).