diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane

C15H41P3 — CID 159814369

IUPACdiethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane
SMILESC.C.C.C.CCPCC.CCPCC#CCPC
InChIInChI=1S/C7H14P2.C4H11P.4CH4/c1-3-9-7-5-4-6-8-2;1-3-5-4-2;;;;/h8-9H,3,6-7H2,1-2H3;5H,3-4H2,1-2H3;4*1H4
InChIKeyNLKSBGBBFWWRJO-UHFFFAOYSA-N
MW314.41 g/mol
LogP6.25
Rot. Bonds5

About diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane

diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane (PubChem CID 159814369) has the molecular formula C15H41P3 and a molecular weight of 314.41 g/mol. Its IUPAC name is diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane.

Molecular Properties

Compound Namediethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane
PubChem CID159814369
Molecular FormulaC15H41P3
Molecular Weight314.41 g/mol
Exact Mass314.24
IUPAC Namediethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane
SMILESC.C.C.C.CCPCC.CCPCC#CCPC
InChIInChI=1S/C7H14P2.C4H11P.4CH4/c1-3-9-7-5-4-6-8-2;1-3-5-4-2;;;;/h8-9H,3,6-7H2,1-2H3;5H,3-4H2,1-2H3;4*1H4
InChIKeyNLKSBGBBFWWRJO-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diethylphosphane;methanamine;methane;yttrium
CID 159130049
3-methylphosphanylprop-1-yn-1-ol
CID 59893636
ethene;ethyl(methyl)phosphane
CID 143339524
acetylene;diethylphosphane
CID 174718261
ethane;ethyl(methyl)phosphane;fluoromethylphosphane;propane
CID 167664046
deuterio-ethyl-methylphosphane
CID 58648907
ethanol;palladium
CID 87368677
deuterio-ethyl-methylphosphane;methane;1-tritioprop-1-yne
CID 159697157
ethyl(methylphosphanyl)phosphane
CID 21095172
methane;methyl-(methylphosphanylmethyl)-phosphanylphosphane
CID 159311319
bis(pent-1-ynyl)phosphane
CID 21096758
CID 88552851
CID 88552851

Frequently Asked Questions

What is the IUPAC name of diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane?
The IUPAC name of diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane (CID 159814369) is diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane.
What is the SMILES notation for diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane?
The canonical SMILES for diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane is C.C.C.C.CCPCC.CCPCC#CCPC.
What is the InChIKey of diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane?
The InChIKey is NLKSBGBBFWWRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14P2.C4H11P.4CH4/c1-3-9-7-5-4-6-8-2;1-3-5-4-2;;;;/h8-9H,3,6-7H2,1-2H3;5H,3-4H2,1-2H3;4*1H4.
What are the key properties of diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane?
diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane has a molecular weight of 314.41 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane is sourced from PubChem (CID 159814369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).