dimethyl(oxiran-2-ylmethyl)borane

C5H11BO — CID 20645160

IUPACdimethyl(oxiran-2-ylmethyl)borane
SMILESCB(C)CC1CO1
InChIInChI=1S/C5H11BO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3
InChIKeyINZSHSVRPOXZMI-UHFFFAOYSA-N
MW97.95 g/mol
LogP1.14
Rot. Bonds2

About dimethyl(oxiran-2-ylmethyl)borane

dimethyl(oxiran-2-ylmethyl)borane (PubChem CID 20645160) has the molecular formula C5H11BO and a molecular weight of 97.95 g/mol. Its IUPAC name is dimethyl(oxiran-2-ylmethyl)borane.

Molecular Properties

Compound Namedimethyl(oxiran-2-ylmethyl)borane
PubChem CID20645160
Molecular FormulaC5H11BO
Molecular Weight97.95 g/mol
Exact Mass98.09
IUPAC Namedimethyl(oxiran-2-ylmethyl)borane
SMILESCB(C)CC1CO1
InChIInChI=1S/C5H11BO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3
InChIKeyINZSHSVRPOXZMI-UHFFFAOYSA-N
XLogP1.14
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.95
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(oxiran-2-ylmethyl)borane?
The IUPAC name of dimethyl(oxiran-2-ylmethyl)borane (CID 20645160) is dimethyl(oxiran-2-ylmethyl)borane.
What is the SMILES notation for dimethyl(oxiran-2-ylmethyl)borane?
The canonical SMILES for dimethyl(oxiran-2-ylmethyl)borane is CB(C)CC1CO1.
What is the InChIKey of dimethyl(oxiran-2-ylmethyl)borane?
The InChIKey is INZSHSVRPOXZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO/c1-6(2)3-5-4-7-5/h5H,3-4H2,1-2H3.
What are the key properties of dimethyl(oxiran-2-ylmethyl)borane?
dimethyl(oxiran-2-ylmethyl)borane has a molecular weight of 97.95 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(oxiran-2-ylmethyl)borane is sourced from PubChem (CID 20645160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).