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

C16H29BO2 — CID 134821159

IUPAC2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(C3CCCCC3)CCC2)OC1(C)C
InChIInChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)16(11-8-12-16)13-9-6-5-7-10-13/h13H,5-12H2,1-4H3
InChIKeyARPRMIGBXYEWKK-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.58
Rot. Bonds2

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

2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134821159) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134821159
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2(C3CCCCC3)CCC2)OC1(C)C
InChIInChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)16(11-8-12-16)13-9-6-5-7-10-13/h13H,5-12H2,1-4H3
InChIKeyARPRMIGBXYEWKK-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.58
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-(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
2-[1-Cyclohexyl-3-(trifluoromethyl)cyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176437442
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
4,4,5,5-tetramethyl-2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1,3,2-dioxaborolane
CID 102347051
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
2-[(1R)-2-butylcyclobutyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154712564
2-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134821159) is 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2(C3CCCCC3)CCC2)OC1(C)C.
What is the InChIKey of 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ARPRMIGBXYEWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BO2/c1-14(2)15(3,4)19-17(18-14)16(11-8-12-16)13-9-6-5-7-10-13/h13H,5-12H2,1-4H3.
What are the key properties of 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134821159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).