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

C16H31BO2 — CID 135065031

IUPAC2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H31BO2/c1-6-10-14(13-11-8-7-9-12-13)17-18-15(2,3)16(4,5)19-17/h13-14H,6-12H2,1-5H3
InChIKeyHDGRGZIIUIPMHE-UHFFFAOYSA-N
MW266.23 g/mol
LogP4.83
Rot. Bonds4

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

2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 135065031) has the molecular formula C16H31BO2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID135065031
Molecular FormulaC16H31BO2
Molecular Weight266.23 g/mol
Exact Mass266.24
IUPAC Name2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H31BO2/c1-6-10-14(13-11-8-7-9-12-13)17-18-15(2,3)16(4,5)19-17/h13-14H,6-12H2,1-5H3
InChIKeyHDGRGZIIUIPMHE-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(Cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14425021
2-(Cyclohexylethynyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72219059
rac-2-[(1R,6S,7R)-bicyclo[4.1.0]heptan-7-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132353869
2-{Bicyclo[4.1.0]heptan-1-yl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137951489
2-[Cyclohexyl(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712802
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-(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
2-(Bicyclo[3.1.1]heptan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156009407
2-[4-(Difluoromethyl)cyclohexyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153521617

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 135065031) is 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCC(B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HDGRGZIIUIPMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31BO2/c1-6-10-14(13-11-8-7-9-12-13)17-18-15(2,3)16(4,5)19-17/h13-14H,6-12H2,1-5H3.
What are the key properties of 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 266.23 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylbutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 135065031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).