4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane

C13H19BO4 — CID 172645009

IUPAC4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3COC3)o2)OC1(C)C
InChIInChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(16-11)9-7-15-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyPOEDRTHGSCJDQS-UHFFFAOYSA-N
MW250.10 g/mol
LogP1.69
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane (PubChem CID 172645009) has the molecular formula C13H19BO4 and a molecular weight of 250.10 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane
PubChem CID172645009
Molecular FormulaC13H19BO4
Molecular Weight250.10 g/mol
Exact Mass250.14
IUPAC Name4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc(C3COC3)o2)OC1(C)C
InChIInChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(16-11)9-7-15-8-9/h5-6,9H,7-8H2,1-4H3
InChIKeyPOEDRTHGSCJDQS-UHFFFAOYSA-N
XLogP1.69
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-chloro-4-(oxetan-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172645003
2-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172645016
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-yl]ethanone
CID 125180268
6-(oxetan-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
CID 172644147
2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66521522
2-(oxetan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole
CID 172645600
2-[3-(1,3-dioxan-5-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172645565
3-(oxetan-3-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 172645592
2-(oxetan-3-yl)-6-(oxolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644320
4,4,5,5-tetramethyl-2-[4-(oxan-4-yl)phenyl]-1,3,2-dioxaborolane
CID 67249753
2-[4-cyclopropyl-3-(oxolan-3-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 172645354
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carboxylate
CID 46739337

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane (CID 172645009) is 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane is CC1(C)OB(c2ccc(C3COC3)o2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane?
The InChIKey is POEDRTHGSCJDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(16-11)9-7-15-8-9/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane has a molecular weight of 250.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[5-(oxetan-3-yl)furan-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 172645009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).