2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine

C12H26BNO — CID 71037603

IUPAC2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine
SMILESCC(C)(C)CB1NCC(CC(C)(C)C)O1
InChIInChI=1S/C12H26BNO/c1-11(2,3)7-10-8-14-13(15-10)9-12(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyLDIPRUSXESIROU-UHFFFAOYSA-N
MW211.16 g/mol
LogP2.95
Rot. Bonds2

About 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine

2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine (PubChem CID 71037603) has the molecular formula C12H26BNO and a molecular weight of 211.16 g/mol. Its IUPAC name is 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine.

Molecular Properties

Compound Name2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine
PubChem CID71037603
Molecular FormulaC12H26BNO
Molecular Weight211.16 g/mol
Exact Mass211.21
IUPAC Name2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine
SMILESCC(C)(C)CB1NCC(CC(C)(C)C)O1
InChIInChI=1S/C12H26BNO/c1-11(2,3)7-10-8-14-13(15-10)9-12(4,5)6/h10,14H,7-9H2,1-6H3
InChIKeyLDIPRUSXESIROU-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
(5S)-5-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one
CID 97000604
4,6-bis(2,2-dimethylpropyl)-1,3-dioxane
CID 546530
2-(2,2-dimethylpropyl)-6-(trifluoromethyl)morpholine
CID 107155091
2-(2,2-dimethylpropyl)-5,5-dimethylmorpholine
CID 134506537
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469
3-(2,2-dimethylpropyl)piperidine
CID 21041533
2-(2,2-dimethylpropyl)oxolane;ethane
CID 155737583
4-(2,2-dimethylpropyl)-2-phenyl-1,3,2-dioxaborolane
CID 177091205
2-(2,2-dimethylpropyl)-6-methyloxane
CID 163432444
(5S)-2-(3-cyclopropyl-2,2-dimethylpropyl)-5-(2,2-dimethylpropyl)-1,4-dioxane
CID 167295439

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine?
The IUPAC name of 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine (CID 71037603) is 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine.
What is the SMILES notation for 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine?
The canonical SMILES for 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine is CC(C)(C)CB1NCC(CC(C)(C)C)O1.
What is the InChIKey of 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine?
The InChIKey is LDIPRUSXESIROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26BNO/c1-11(2,3)7-10-8-14-13(15-10)9-12(4,5)6/h10,14H,7-9H2,1-6H3.
What are the key properties of 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine?
2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine has a molecular weight of 211.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,2-dimethylpropyl)-1,3,2-oxazaborolidine is sourced from PubChem (CID 71037603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).