ethenyl-bis(3-methylphenoxy)borane

C16H17BO2 — CID 68503964

IUPACethenyl-bis(3-methylphenoxy)borane
SMILESC=CB(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C16H17BO2/c1-4-17(18-15-9-5-7-13(2)11-15)19-16-10-6-8-14(3)12-16/h4-12H,1H2,2-3H3
InChIKeyQIUJSBPYPCDMBM-UHFFFAOYSA-N
MW252.12 g/mol
LogP3.97
Rot. Bonds5

About ethenyl-bis(3-methylphenoxy)borane

ethenyl-bis(3-methylphenoxy)borane (PubChem CID 68503964) has the molecular formula C16H17BO2 and a molecular weight of 252.12 g/mol. Its IUPAC name is ethenyl-bis(3-methylphenoxy)borane.

Molecular Properties

Compound Nameethenyl-bis(3-methylphenoxy)borane
PubChem CID68503964
Molecular FormulaC16H17BO2
Molecular Weight252.12 g/mol
Exact Mass252.13
IUPAC Nameethenyl-bis(3-methylphenoxy)borane
SMILESC=CB(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C16H17BO2/c1-4-17(18-15-9-5-7-13(2)11-15)19-16-10-6-8-14(3)12-16/h4-12H,1H2,2-3H3
InChIKeyQIUJSBPYPCDMBM-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.97
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 ethenyl-bis(3-methylphenoxy)borane?
The IUPAC name of ethenyl-bis(3-methylphenoxy)borane (CID 68503964) is ethenyl-bis(3-methylphenoxy)borane.
What is the SMILES notation for ethenyl-bis(3-methylphenoxy)borane?
The canonical SMILES for ethenyl-bis(3-methylphenoxy)borane is C=CB(Oc1cccc(C)c1)Oc1cccc(C)c1.
What is the InChIKey of ethenyl-bis(3-methylphenoxy)borane?
The InChIKey is QIUJSBPYPCDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BO2/c1-4-17(18-15-9-5-7-13(2)11-15)19-16-10-6-8-14(3)12-16/h4-12H,1H2,2-3H3.
What are the key properties of ethenyl-bis(3-methylphenoxy)borane?
ethenyl-bis(3-methylphenoxy)borane has a molecular weight of 252.12 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-bis(3-methylphenoxy)borane is sourced from PubChem (CID 68503964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).