4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C6H13BO2 — CID 2734768

IUPAC4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OBOC1(C)C
InChIInChI=1S/C6H13BO2/c1-5(2)6(3,4)9-7-8-5/h7H,1-4H3
InChIKeyUCFSYHMCKWNKAH-UHFFFAOYSA-N
MW127.98 g/mol
LogP0.86
Rot. Bonds

About 4,4,5,5-tetramethyl-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 2734768) has the molecular formula C6H13BO2 and a molecular weight of 127.98 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID2734768
Molecular FormulaC6H13BO2
Molecular Weight127.98 g/mol
Exact Mass128.10
IUPAC Name4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OBOC1(C)C
InChIInChI=1S/C6H13BO2/c1-5(2)6(3,4)9-7-8-5/h7H,1-4H3
InChIKeyUCFSYHMCKWNKAH-UHFFFAOYSA-N
XLogP0.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.98
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 2734768) is 4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OBOC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is UCFSYHMCKWNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BO2/c1-5(2)6(3,4)9-7-8-5/h7H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 127.98 g/mol, XLogP of 0.86, 0 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-1,3,2-dioxaborolane is sourced from PubChem (CID 2734768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).