methyl-di(propan-2-yloxy)borane

C7H17BO2 — CID 3392711

IUPACmethyl-di(propan-2-yloxy)borane
SMILESCB(OC(C)C)OC(C)C
InChIInChI=1S/C7H17BO2/c1-6(2)9-8(5)10-7(3)4/h6-7H,1-5H3
InChIKeyBHOFOFKBMGVFSG-UHFFFAOYSA-N
MW144.02 g/mol
LogP1.95
Rot. Bonds4

About methyl-di(propan-2-yloxy)borane

methyl-di(propan-2-yloxy)borane (PubChem CID 3392711) has the molecular formula C7H17BO2 and a molecular weight of 144.02 g/mol. Its IUPAC name is methyl-di(propan-2-yloxy)borane.

Molecular Properties

Compound Namemethyl-di(propan-2-yloxy)borane
PubChem CID3392711
Molecular FormulaC7H17BO2
Molecular Weight144.02 g/mol
Exact Mass144.13
IUPAC Namemethyl-di(propan-2-yloxy)borane
SMILESCB(OC(C)C)OC(C)C
InChIInChI=1S/C7H17BO2/c1-6(2)9-8(5)10-7(3)4/h6-7H,1-5H3
InChIKeyBHOFOFKBMGVFSG-UHFFFAOYSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.02
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl-di(propan-2-yloxy)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl-di(propan-2-yloxy)borane?
The IUPAC name of methyl-di(propan-2-yloxy)borane (CID 3392711) is methyl-di(propan-2-yloxy)borane.
What is the SMILES notation for methyl-di(propan-2-yloxy)borane?
The canonical SMILES for methyl-di(propan-2-yloxy)borane is CB(OC(C)C)OC(C)C.
What is the InChIKey of methyl-di(propan-2-yloxy)borane?
The InChIKey is BHOFOFKBMGVFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BO2/c1-6(2)9-8(5)10-7(3)4/h6-7H,1-5H3.
What are the key properties of methyl-di(propan-2-yloxy)borane?
methyl-di(propan-2-yloxy)borane has a molecular weight of 144.02 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(propan-2-yloxy)borane is sourced from PubChem (CID 3392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).