acetylene;molecular hydrogen;prop-1-yne

C5H14 — CID 159941146

IUPACacetylene;molecular hydrogen;prop-1-yne
SMILESC#C.C#CC.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C3H4.C2H2.4H2/c1-3-2;1-2;;;;/h1H,2H3;1-2H;4*1H
InChIKeyOAWZLPISTGRBBJ-UHFFFAOYSA-N
MW74.17 g/mol
LogP1.87
Rot. Bonds

About acetylene;molecular hydrogen;prop-1-yne

acetylene;molecular hydrogen;prop-1-yne (PubChem CID 159941146) has the molecular formula C5H14 and a molecular weight of 74.17 g/mol. Its IUPAC name is acetylene;molecular hydrogen;prop-1-yne.

Molecular Properties

Compound Nameacetylene;molecular hydrogen;prop-1-yne
PubChem CID159941146
Molecular FormulaC5H14
Molecular Weight74.17 g/mol
Exact Mass74.11
IUPAC Nameacetylene;molecular hydrogen;prop-1-yne
SMILESC#C.C#CC.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C3H4.C2H2.4H2/c1-3-2;1-2;;;;/h1H,2H3;1-2H;4*1H
InChIKeyOAWZLPISTGRBBJ-UHFFFAOYSA-N
XLogP1.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.17
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-1-yne
CID 157284750
but-2-yne;bis(prop-1-yne)
CID 159474531
acetylene;ethane;ethene;methane;prop-1-yne
CID 162268690
carbon dioxide;prop-1-yne
CID 161111477
ethane;methanethiol;prop-1-yne
CID 144528675
carbon monoxide;chromium;tris(prop-1-yne)
CID 11821199
benzene;ethane;prop-1-yne
CID 90730719
ethyne;methane;prop-1-yne;uranium
CID 157366445
carbanide;prop-1-yne;prop-1-yne;bis(yttrium)
CID 160544515
acetylene;but-2-yne;carbanide;ethane;methane;platinum(4+);propane;prop-1-yne
CID 165040725
acetylene;but-2-yne;cerium;deca-1,3,5,7,9-pentayne;dodeca-2,4,6,8,10-pentayne;hepta-1,3,5-triyne;hexa-1,3,5-triyne;methane;nona-1,3,5,7-tetrayne;octa-2,4,6-triyne;penta-1,3-diyne;prop-1-yne;tetradeca-1,3,5,7,9,11,13-heptayne;trideca-1,3,5,7,9,11-hexayne;undeca-1,3,5,7,9-pentayne
CID 161084489
propane;prop-1-ene;prop-1-yne
CID 144517597

Frequently Asked Questions

What is the IUPAC name of acetylene;molecular hydrogen;prop-1-yne?
The IUPAC name of acetylene;molecular hydrogen;prop-1-yne (CID 159941146) is acetylene;molecular hydrogen;prop-1-yne.
What is the SMILES notation for acetylene;molecular hydrogen;prop-1-yne?
The canonical SMILES for acetylene;molecular hydrogen;prop-1-yne is C#C.C#CC.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of acetylene;molecular hydrogen;prop-1-yne?
The InChIKey is OAWZLPISTGRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.C2H2.4H2/c1-3-2;1-2;;;;/h1H,2H3;1-2H;4*1H.
What are the key properties of acetylene;molecular hydrogen;prop-1-yne?
acetylene;molecular hydrogen;prop-1-yne has a molecular weight of 74.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;molecular hydrogen;prop-1-yne is sourced from PubChem (CID 159941146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).