2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H27BO2 — CID 15259990

IUPAC2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC2CCCCC2)OC1(C)C
InChIInChI=1S/C14H27BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3
InChIKeyLDKDGYZAIIKCGK-UHFFFAOYSA-N
MW238.18 g/mol
LogP4.05
Rot. Bonds3

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

2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 15259990) has the molecular formula C14H27BO2 and a molecular weight of 238.18 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID15259990
Molecular FormulaC14H27BO2
Molecular Weight238.18 g/mol
Exact Mass238.21
IUPAC Name2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CCC2CCCCC2)OC1(C)C
InChIInChI=1S/C14H27BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3
InChIKeyLDKDGYZAIIKCGK-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 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 15259990) is 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CCC2CCCCC2)OC1(C)C.
What is the InChIKey of 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LDKDGYZAIIKCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h12H,5-11H2,1-4H3.
What are the key properties of 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-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 2-(2-cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 15259990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).