deuterium monohydride;ethane

C8H30-4 — CID 157261377

IUPACdeuterium monohydride;ethane
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/4C2H5.5H2/c4*1-2;;;;;/h4*1H2,2H3;5*1H/q4*-1;;;;;/i;;;;5*1+1
InChIKeyAXMPWQORONSOQX-CGKGOWPUSA-N
MW131.36 g/mol
LogP4.59
Rot. Bonds

About deuterium monohydride;ethane

deuterium monohydride;ethane (PubChem CID 157261377) has the molecular formula C8H30-4 and a molecular weight of 131.36 g/mol. Its IUPAC name is deuterium monohydride;ethane.

Molecular Properties

Compound Namedeuterium monohydride;ethane
PubChem CID157261377
Molecular FormulaC8H30-4
Molecular Weight131.36 g/mol
Exact Mass131.27
IUPAC Namedeuterium monohydride;ethane
SMILES[CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H]
InChIInChI=1S/4C2H5.5H2/c4*1-2;;;;;/h4*1H2,2H3;5*1H/q4*-1;;;;;/i;;;;5*1+1
InChIKeyAXMPWQORONSOQX-CGKGOWPUSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;ethane?
The IUPAC name of deuterium monohydride;ethane (CID 157261377) is deuterium monohydride;ethane.
What is the SMILES notation for deuterium monohydride;ethane?
The canonical SMILES for deuterium monohydride;ethane is [CH2-]C.[CH2-]C.[CH2-]C.[CH2-]C.[H][2H].[H][2H].[H][2H].[H][2H].[H][2H].
What is the InChIKey of deuterium monohydride;ethane?
The InChIKey is AXMPWQORONSOQX-CGKGOWPUSA-N. The full InChI is InChI=1S/4C2H5.5H2/c4*1-2;;;;;/h4*1H2,2H3;5*1H/q4*-1;;;;;/i;;;;5*1+1.
What are the key properties of deuterium monohydride;ethane?
deuterium monohydride;ethane has a molecular weight of 131.36 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;ethane is sourced from PubChem (CID 157261377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).