2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H35BO2 — CID 123515182

IUPAC2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CCCCC(B2OC(C)(C)C(C)(C)O2)CCCC1
InChIInChI=1S/C18H35BO2/c1-16(2)13-9-7-11-15(12-8-10-14-16)19-20-17(3,4)18(5,6)21-19/h15H,7-14H2,1-6H3
InChIKeyAHOPGOLJRKSYLM-UHFFFAOYSA-N
MW294.29 g/mol
LogP5.61
Rot. Bonds1

About 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 123515182) has the molecular formula C18H35BO2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID123515182
Molecular FormulaC18H35BO2
Molecular Weight294.29 g/mol
Exact Mass294.27
IUPAC Name2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CCCCC(B2OC(C)(C)C(C)(C)O2)CCCC1
InChIInChI=1S/C18H35BO2/c1-16(2)13-9-7-11-15(12-8-10-14-16)19-20-17(3,4)18(5,6)21-19/h15H,7-14H2,1-6H3
InChIKeyAHOPGOLJRKSYLM-UHFFFAOYSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.29
LogP ≤ 55.61
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-[(3,3-Dipropylcyclobutyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 154719857
CID 162416067
CID 162416067
2-(3,7-Dimethyloctan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176434550
CID 89982444
CID 89982444
2-(7-Cyclododecyltridecan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90290302
2-[4-[2-[1,5-Di(propan-2-yl)cyclononyl]propyl]-1,4,7-trimethyl-7-propylcyclononyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91517613
CID 123519895
CID 123519895
4,4,5,5-Tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane
CID 123946794
2-(4,4-Diethylcyclohexyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143071622
2-(3,7-Dimethyloctyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145241187
4,4,5,5-Tetramethyl-2-(7,7,8,8,9-pentamethyldecan-5-yl)-1,3,2-dioxaborolane
CID 149619183
2-[2-(3,3-Diethylcyclopentyl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 155793252

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 123515182) is 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)CCCCC(B2OC(C)(C)C(C)(C)O2)CCCC1.
What is the InChIKey of 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is AHOPGOLJRKSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BO2/c1-16(2)13-9-7-11-15(12-8-10-14-16)19-20-17(3,4)18(5,6)21-19/h15H,7-14H2,1-6H3.
What are the key properties of 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.29 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 123515182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).