acetylene;diethylphosphane

C6H13P — CID 174718261

IUPACacetylene;diethylphosphane
SMILESC#C.CCPCC
InChIInChI=1S/C4H11P.C2H2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H
InChIKeyHVEFTNCREKZDBT-UHFFFAOYSA-N
MW116.14 g/mol
LogP1.95
Rot. Bonds2

About acetylene;diethylphosphane

acetylene;diethylphosphane (PubChem CID 174718261) has the molecular formula C6H13P and a molecular weight of 116.14 g/mol. Its IUPAC name is acetylene;diethylphosphane.

Molecular Properties

Compound Nameacetylene;diethylphosphane
PubChem CID174718261
Molecular FormulaC6H13P
Molecular Weight116.14 g/mol
Exact Mass116.08
IUPAC Nameacetylene;diethylphosphane
SMILESC#C.CCPCC
InChIInChI=1S/C4H11P.C2H2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H
InChIKeyHVEFTNCREKZDBT-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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
diethylphosphane;ethyl(4-methylphosphanylbut-2-ynyl)phosphane;methane
CID 159814369
CID 88552851
CID 88552851
2-ethylphosphanyl-N-(2-ethylphosphanylethyl)-N-methylethanamine
CID 88532633
N-ethyl-2-ethylphosphanylethanamine
CID 130006283
ethyl-[(2S)-2-methylbutyl]phosphane
CID 161467403
2-ethylphosphanylacetate
CID 21188610
aminophosphanylethane;hydrobromide
CID 174737178
acetylene;heptane;hexane
CID 173326274
ethene;ethyl(methyl)phosphane
CID 143339524
deuterio-ethyl-methylphosphane
CID 58648907
dipropylphosphane
CID 12057559

Frequently Asked Questions

What is the IUPAC name of acetylene;diethylphosphane?
The IUPAC name of acetylene;diethylphosphane (CID 174718261) is acetylene;diethylphosphane.
What is the SMILES notation for acetylene;diethylphosphane?
The canonical SMILES for acetylene;diethylphosphane is C#C.CCPCC.
What is the InChIKey of acetylene;diethylphosphane?
The InChIKey is HVEFTNCREKZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11P.C2H2/c1-3-5-4-2;1-2/h5H,3-4H2,1-2H3;1-2H.
What are the key properties of acetylene;diethylphosphane?
acetylene;diethylphosphane has a molecular weight of 116.14 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;diethylphosphane is sourced from PubChem (CID 174718261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).