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

C9H19BO3 — CID 5017741

IUPAC4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCC(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
InChIKeyMRWWWZLJWNIEEJ-UHFFFAOYSA-N
MW186.06 g/mol
LogP2.00
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 5017741) has the molecular formula C9H19BO3 and a molecular weight of 186.06 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID5017741
Molecular FormulaC9H19BO3
Molecular Weight186.06 g/mol
Exact Mass186.14
IUPAC Name4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESCC(C)OB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
InChIKeyMRWWWZLJWNIEEJ-UHFFFAOYSA-N
XLogP2.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.06
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 5017741) is 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is CC(C)OB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is MRWWWZLJWNIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 186.06 g/mol, XLogP of 2.00, 2 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-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 5017741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).