butyl-bis(oxoboranyl)phosphane

C4H9B2O2P — CID 169283398

IUPACbutyl-bis(oxoboranyl)phosphane
SMILESCCCCP(B=O)B=O
InChIInChI=1S/C4H9B2O2P/c1-2-3-4-9(5-7)6-8/h2-4H2,1H3
InChIKeyYJXVQIUSRLRTBK-UHFFFAOYSA-N
MW141.71 g/mol
LogP1.20
Rot. Bonds5

About butyl-bis(oxoboranyl)phosphane

butyl-bis(oxoboranyl)phosphane (PubChem CID 169283398) has the molecular formula C4H9B2O2P and a molecular weight of 141.71 g/mol. Its IUPAC name is butyl-bis(oxoboranyl)phosphane.

Molecular Properties

Compound Namebutyl-bis(oxoboranyl)phosphane
PubChem CID169283398
Molecular FormulaC4H9B2O2P
Molecular Weight141.71 g/mol
Exact Mass142.05
IUPAC Namebutyl-bis(oxoboranyl)phosphane
SMILESCCCCP(B=O)B=O
InChIInChI=1S/C4H9B2O2P/c1-2-3-4-9(5-7)6-8/h2-4H2,1H3
InChIKeyYJXVQIUSRLRTBK-UHFFFAOYSA-N
XLogP1.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.71
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;bis(tributylphosphane);hydrochloride
CID 174344265
formaldehyde;platinum;bis(tributylphosphane)
CID 173341765
azane;tributylphosphane
CID 87538509
gold;tributylphosphane
CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
nickel(2+);tributylphosphane
CID 161451777
zinc;tributylphosphane;diacetate
CID 158741952
copper;bis(tributylphosphane);diacetate
CID 173453696
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
nonatriacontan-2-one
CID 141365496

Frequently Asked Questions

What is the IUPAC name of butyl-bis(oxoboranyl)phosphane?
The IUPAC name of butyl-bis(oxoboranyl)phosphane (CID 169283398) is butyl-bis(oxoboranyl)phosphane.
What is the SMILES notation for butyl-bis(oxoboranyl)phosphane?
The canonical SMILES for butyl-bis(oxoboranyl)phosphane is CCCCP(B=O)B=O.
What is the InChIKey of butyl-bis(oxoboranyl)phosphane?
The InChIKey is YJXVQIUSRLRTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9B2O2P/c1-2-3-4-9(5-7)6-8/h2-4H2,1H3.
What are the key properties of butyl-bis(oxoboranyl)phosphane?
butyl-bis(oxoboranyl)phosphane has a molecular weight of 141.71 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-bis(oxoboranyl)phosphane is sourced from PubChem (CID 169283398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).