benzyl bis(tetramethyl-λ5-phosphanyl) borate

C15H31BO3P2 — CID 139962615

IUPACbenzyl bis(tetramethyl-λ5-phosphanyl) borate
SMILESCP(C)(C)(C)OB(OCc1ccccc1)OP(C)(C)(C)C
InChIInChI=1S/C15H31BO3P2/c1-20(2,3,4)18-16(19-21(5,6,7)8)17-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3
InChIKeyOJSWBFQOHIDZGK-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.20
Rot. Bonds7

About benzyl bis(tetramethyl-λ5-phosphanyl) borate

benzyl bis(tetramethyl-λ5-phosphanyl) borate (PubChem CID 139962615) has the molecular formula C15H31BO3P2 and a molecular weight of 332.17 g/mol. Its IUPAC name is benzyl bis(tetramethyl-λ5-phosphanyl) borate.

Molecular Properties

Compound Namebenzyl bis(tetramethyl-λ5-phosphanyl) borate
PubChem CID139962615
Molecular FormulaC15H31BO3P2
Molecular Weight332.17 g/mol
Exact Mass332.18
IUPAC Namebenzyl bis(tetramethyl-λ5-phosphanyl) borate
SMILESCP(C)(C)(C)OB(OCc1ccccc1)OP(C)(C)(C)C
InChIInChI=1S/C15H31BO3P2/c1-20(2,3,4)18-16(19-21(5,6,7)8)17-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3
InChIKeyOJSWBFQOHIDZGK-UHFFFAOYSA-N
XLogP4.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenylmethoxymethylbenzene
CID 90943549
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
methoxymethylbenzene;silane
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methoxymethylbenzene;vanadium
CID 167445376
CID 66734377
CID 66734377
1-chloroethoxymethylbenzene
CID 12510706
ethane;ethenoxymethylbenzene
CID 144676673
benzyl acetate
CID 8785
(213C)ethoxymethylbenzene
CID 87947851
lithium;hydride;methoxymethylbenzene
CID 174456658
dimethyltin;phenylmethoxymethylbenzene
CID 87392963
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699

Frequently Asked Questions

What is the IUPAC name of benzyl bis(tetramethyl-λ5-phosphanyl) borate?
The IUPAC name of benzyl bis(tetramethyl-λ5-phosphanyl) borate (CID 139962615) is benzyl bis(tetramethyl-λ5-phosphanyl) borate.
What is the SMILES notation for benzyl bis(tetramethyl-λ5-phosphanyl) borate?
The canonical SMILES for benzyl bis(tetramethyl-λ5-phosphanyl) borate is CP(C)(C)(C)OB(OCc1ccccc1)OP(C)(C)(C)C.
What is the InChIKey of benzyl bis(tetramethyl-λ5-phosphanyl) borate?
The InChIKey is OJSWBFQOHIDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BO3P2/c1-20(2,3,4)18-16(19-21(5,6,7)8)17-14-15-12-10-9-11-13-15/h9-13H,14H2,1-8H3.
What are the key properties of benzyl bis(tetramethyl-λ5-phosphanyl) borate?
benzyl bis(tetramethyl-λ5-phosphanyl) borate has a molecular weight of 332.17 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl bis(tetramethyl-λ5-phosphanyl) borate is sourced from PubChem (CID 139962615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).