4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane

C14H27BO2 — CID 162413644

IUPAC4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC(C)CC1(B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C14H27BO2/c1-11(2)10-14(8-7-9-14)15-16-12(3,4)13(5,6)17-15/h11H,7-10H2,1-6H3
InChIKeyLKDIJIWQSAOKHE-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.05
Rot. Bonds3

About 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane (PubChem CID 162413644) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane
PubChem CID162413644
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane
SMILESCC(C)CC1(B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C14H27BO2/c1-11(2)10-14(8-7-9-14)15-16-12(3,4)13(5,6)17-15/h11H,7-10H2,1-6H3
InChIKeyLKDIJIWQSAOKHE-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane (CID 162413644) is 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane is CC(C)CC1(B2OC(C)(C)C(C)(C)O2)CCC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane?
The InChIKey is LKDIJIWQSAOKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-11(2)10-14(8-7-9-14)15-16-12(3,4)13(5,6)17-15/h11H,7-10H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane has a molecular weight of 238.18 g/mol, XLogP of 4.05, 3 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-[1-(2-methylpropyl)cyclobutyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162413644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).