2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H23BO2 — CID 3668596

IUPAC2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCCC2)OC1(C)C
InChIInChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKeyOUEVCDGYTKLNMJ-UHFFFAOYSA-N
MW210.13 g/mol
LogP3.41
Rot. Bonds1

About 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 3668596) has the molecular formula C12H23BO2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID3668596
Molecular FormulaC12H23BO2
Molecular Weight210.13 g/mol
Exact Mass210.18
IUPAC Name2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCCC2)OC1(C)C
InChIInChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3
InChIKeyOUEVCDGYTKLNMJ-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 53.41
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-Butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 2773615
2-Isopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12727711
Tert-butylboronic acid pinacol ester
CID 3301663
2-Ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10942698
2-(Cyclohexylmethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 14425021
2-(4,4-Difluorocyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 74789504
4,4,5,5-Tetramethyl-2-propyl-1,3,2-dioxaborolane
CID 10103569
2-(cis-4-Fluorocyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 137346916
Hexylboronic acid pinacol ester
CID 10921795
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-octyl-
CID 11253440
4,4,5,5-Tetramethyl-2-(octan-2-yl)-1,3,2-dioxaborolane
CID 12010700
1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-pentyl-
CID 10987217

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 3668596) is 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2CCCCC2)OC1(C)C.
What is the InChIKey of 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is OUEVCDGYTKLNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BO2/c1-11(2)12(3,4)15-13(14-11)10-8-6-5-7-9-10/h10H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 210.13 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 3668596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).