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

C19H37BO2 — CID 123946794

IUPAC4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane
SMILESCC1(C)CCCCCC(C)(B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C19H37BO2/c1-16(2)12-9-8-10-14-19(7,15-11-13-16)20-21-17(3,4)18(5,6)22-20/h8-15H2,1-7H3
InChIKeyWGPKPBKEBNMQHB-UHFFFAOYSA-N
MW308.31 g/mol
LogP6.00
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane (PubChem CID 123946794) has the molecular formula C19H37BO2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane
PubChem CID123946794
Molecular FormulaC19H37BO2
Molecular Weight308.31 g/mol
Exact Mass308.29
IUPAC Name4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane
SMILESCC1(C)CCCCCC(C)(B2OC(C)(C)C(C)(C)O2)CCC1
InChIInChI=1S/C19H37BO2/c1-16(2)12-9-8-10-14-19(7,15-11-13-16)20-21-17(3,4)18(5,6)22-20/h8-15H2,1-7H3
InChIKeyWGPKPBKEBNMQHB-UHFFFAOYSA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 56.00
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
2-(6,6-Dimethylcyclodecyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123515182
CID 123519895
CID 123519895
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 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane (CID 123946794) is 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane is CC1(C)CCCCCC(C)(B2OC(C)(C)C(C)(C)O2)CCC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane?
The InChIKey is WGPKPBKEBNMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37BO2/c1-16(2)12-9-8-10-14-19(7,15-11-13-16)20-21-17(3,4)18(5,6)22-20/h8-15H2,1-7H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane has a molecular weight of 308.31 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(1,5,5-trimethylcyclodecyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 123946794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).