4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane

C10H19BO3 — CID 11367616

IUPAC4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCO2)OC1(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h8H,5-7H2,1-4H3
InChIKeyNRIHVWDOPTVSAN-UHFFFAOYSA-N
MW198.07 g/mol
LogP1.80
Rot. Bonds1

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

4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 11367616) has the molecular formula C10H19BO3 and a molecular weight of 198.07 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane
PubChem CID11367616
Molecular FormulaC10H19BO3
Molecular Weight198.07 g/mol
Exact Mass198.14
IUPAC Name4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2CCCO2)OC1(C)C
InChIInChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h8H,5-7H2,1-4H3
InChIKeyNRIHVWDOPTVSAN-UHFFFAOYSA-N
XLogP1.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.07
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-Tetramethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,3,2-dioxaborolane
CID 101365439
4,4,5,5-Tetramethyl-2-(oxolan-3-yl)-1,3,2-dioxaborolane
CID 11148297
2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 21057643
4,4,5,5-Tetramethyl-2-((oxolan-3-yl)methyl)-1,3,2-dioxaborolane
CID 72218290
2-(2-Methoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 72221144
2-(3-Ethoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319033
2-[1-(Methoxymethyl)cyclopropyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123135725
2-[2-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145913531
2-(2-Butoxyethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 86018565
4,4,5,5-Tetramethyl-2-[2-methyl-4-(3-methylbutoxy)butyl]-1,3,2-dioxaborolane
CID 101877338
4,4,5,5-Tetramethyl-2-[2-methyl-4-(3-methylbutoxy)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]-1,3,2-dioxaborolane
CID 176421692
2-[4-Butoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176421719

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane (CID 11367616) is 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(C2CCCO2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is NRIHVWDOPTVSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BO3/c1-9(2)10(3,4)14-11(13-9)8-6-5-7-12-8/h8H,5-7H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 198.07 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(oxolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 11367616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).