butane;triphenylphosphane

C22H25P — CID 161447439

IUPACbutane;triphenylphosphane
SMILESCCCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-2/h1-15H;3-4H2,1-2H3
InChIKeyWABPXGIANKXWKQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.25
Rot. Bonds4

About butane;triphenylphosphane

butane;triphenylphosphane (PubChem CID 161447439) has the molecular formula C22H25P and a molecular weight of 320.42 g/mol. Its IUPAC name is butane;triphenylphosphane.

Molecular Properties

Compound Namebutane;triphenylphosphane
PubChem CID161447439
Molecular FormulaC22H25P
Molecular Weight320.42 g/mol
Exact Mass320.17
IUPAC Namebutane;triphenylphosphane
SMILESCCCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-2/h1-15H;3-4H2,1-2H3
InChIKeyWABPXGIANKXWKQ-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;triphenylphosphane
CID 90942156
triphenylphosphane
CID 139056248
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
CID 87948921
CID 87948921

Frequently Asked Questions

What is the IUPAC name of butane;triphenylphosphane?
The IUPAC name of butane;triphenylphosphane (CID 161447439) is butane;triphenylphosphane.
What is the SMILES notation for butane;triphenylphosphane?
The canonical SMILES for butane;triphenylphosphane is CCCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of butane;triphenylphosphane?
The InChIKey is WABPXGIANKXWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H10/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-4-2/h1-15H;3-4H2,1-2H3.
What are the key properties of butane;triphenylphosphane?
butane;triphenylphosphane has a molecular weight of 320.42 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;triphenylphosphane is sourced from PubChem (CID 161447439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).