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

C16H31BO2 — CID 143071622

IUPAC2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C16H31BO2/c1-7-16(8-2)11-9-13(10-12-16)17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3
InChIKeyQWSQCFJEQVUNNZ-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.83
Rot. Bonds3

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

2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 143071622) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID143071622
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)CCC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C16H31BO2/c1-7-16(8-2)11-9-13(10-12-16)17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3
InChIKeyQWSQCFJEQVUNNZ-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 54.83
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

2-(3,5-Dimethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 121553466
2-(2-Cyclohexylcyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874387
4,4,5,5-Tetramethyl-2-(6-methylspiro(2.5)octan-1-yl)-1,3,2-dioxaborolane
CID 165498125
4,4,5,5-Tetramethyl-2-(1-methylcyclohexyl)-1,3,2-dioxaborolane
CID 11806311
2-(2-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15259990
2-(1-Cyclohexylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73006462
4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 102347051
2-(1-Cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821159
4,4,5,5-tetramethyl-2-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 134966185
2-(1-Cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 135065031
4,4,5,5-Tetramethyl-2-(spiro[3.5]nonan-2-ylmethyl)-1,3,2-dioxaborolane
CID 162409705
CID 162416067
CID 162416067

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 143071622) is 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1(CC)CCC(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QWSQCFJEQVUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO2/c1-7-16(8-2)11-9-13(10-12-16)17-18-14(3,4)15(5,6)19-17/h13H,7-12H2,1-6H3.
What are the key properties of 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 143071622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).