4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane

C10H21BO2 — CID 13157951

IUPAC4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCC(C)B1OC(C)(C)CC(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11/h8H,7H2,1-6H3
InChIKeyLFYNHMOPUAALCH-UHFFFAOYSA-N
MW184.09 g/mol
LogP2.88
Rot. Bonds1

About 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane

4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane (PubChem CID 13157951) has the molecular formula C10H21BO2 and a molecular weight of 184.09 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane
PubChem CID13157951
Molecular FormulaC10H21BO2
Molecular Weight184.09 g/mol
Exact Mass184.16
IUPAC Name4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane
SMILESCC(C)B1OC(C)(C)CC(C)(C)O1
InChIInChI=1S/C10H21BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11/h8H,7H2,1-6H3
InChIKeyLFYNHMOPUAALCH-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The IUPAC name of 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane (CID 13157951) is 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane.
What is the SMILES notation for 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The canonical SMILES for 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane is CC(C)B1OC(C)(C)CC(C)(C)O1.
What is the InChIKey of 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane?
The InChIKey is LFYNHMOPUAALCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO2/c1-8(2)11-12-9(3,4)7-10(5,6)13-11/h8H,7H2,1-6H3.
What are the key properties of 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane?
4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane has a molecular weight of 184.09 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-2-propan-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 13157951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).