acetylene;dihydrate

C2H6O2 — CID 86182394

IUPACacetylene;dihydrate
SMILESC#C.O.O
InChIInChI=1S/C2H2.2H2O/c1-2;;/h1-2H;2*1H2
InChIKeyPNXAFDWRYVSLEO-UHFFFAOYSA-N
MW62.07 g/mol
LogP-1.40
Rot. Bonds

About acetylene;dihydrate

acetylene;dihydrate (PubChem CID 86182394) has the molecular formula C2H6O2 and a molecular weight of 62.07 g/mol. Its IUPAC name is acetylene;dihydrate.

Molecular Properties

Compound Nameacetylene;dihydrate
PubChem CID86182394
Molecular FormulaC2H6O2
Molecular Weight62.07 g/mol
Exact Mass62.04
IUPAC Nameacetylene;dihydrate
SMILESC#C.O.O
InChIInChI=1S/C2H2.2H2O/c1-2;;/h1-2H;2*1H2
InChIKeyPNXAFDWRYVSLEO-UHFFFAOYSA-N
XLogP-1.40
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.07
LogP ≤ 5-1.40
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

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CID 20536179
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lithium acetylene
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aluminum;hydroxide;trihydrate
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aluminum;triiodide;hydrate
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acetylene;gold
CID 157171931
acetylene;silane
CID 174724950
acetylene;argon
CID 173314278
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CID 175844290
acetylene;helium
CID 23443816

Frequently Asked Questions

What is the IUPAC name of acetylene;dihydrate?
The IUPAC name of acetylene;dihydrate (CID 86182394) is acetylene;dihydrate.
What is the SMILES notation for acetylene;dihydrate?
The canonical SMILES for acetylene;dihydrate is C#C.O.O.
What is the InChIKey of acetylene;dihydrate?
The InChIKey is PNXAFDWRYVSLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2.2H2O/c1-2;;/h1-2H;2*1H2.
What are the key properties of acetylene;dihydrate?
acetylene;dihydrate has a molecular weight of 62.07 g/mol, XLogP of -1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;dihydrate is sourced from PubChem (CID 86182394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).