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

C10H21BO2 — CID 2773615

IUPAC2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3
InChIKeyZHBANXSNVFDSMK-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.88
Rot. Bonds3

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

2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 2773615) has the molecular formula C10H21BO2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID2773615
Molecular FormulaC10H21BO2
Molecular Weight184.09 g/mol
Exact Mass184.16
IUPAC Name2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3
InChIKeyZHBANXSNVFDSMK-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 52.88
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 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 2773615) is 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ZHBANXSNVFDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2/c1-6-7-8-11-12-9(2,3)10(4,5)13-11/h6-8H2,1-5H3.
What are the key properties of 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 184.09 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 2773615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).