2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane

C9H19BO2 — CID 15256202

IUPAC2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCCC(C)B1OCC(C)(C)CO1
InChIInChI=1S/C9H19BO2/c1-5-8(2)10-11-6-9(3,4)7-12-10/h8H,5-7H2,1-4H3
InChIKeyHQGRWVUNYWAGCO-UHFFFAOYSA-N
MW170.06 g/mol
LogP2.35
Rot. Bonds2

About 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane

2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane (PubChem CID 15256202) has the molecular formula C9H19BO2 and a molecular weight of 170.06 g/mol. Its IUPAC name is 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane
PubChem CID15256202
Molecular FormulaC9H19BO2
Molecular Weight170.06 g/mol
Exact Mass170.15
IUPAC Name2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane
SMILESCCC(C)B1OCC(C)(C)CO1
InChIInChI=1S/C9H19BO2/c1-5-8(2)10-11-6-9(3,4)7-12-10/h8H,5-7H2,1-4H3
InChIKeyHQGRWVUNYWAGCO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.06
LogP ≤ 52.35
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-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane (CID 15256202) is 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane is CCC(C)B1OCC(C)(C)CO1.
What is the InChIKey of 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane?
The InChIKey is HQGRWVUNYWAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2/c1-5-8(2)10-11-6-9(3,4)7-12-10/h8H,5-7H2,1-4H3.
What are the key properties of 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane?
2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane has a molecular weight of 170.06 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,5-dimethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 15256202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).