deuterioethyne;methane

C3H6 — CID 160962868

IUPACdeuterioethyne;methane
SMILESC.[2H]C#C
InChIInChI=1S/C2H2.CH4/c1-2;/h1-2H;1H4/i1D;
InChIKeySXFQCTMHFJARRW-RWQOXAPSSA-N
MW43.09 g/mol
LogP0.89
Rot. Bonds

About deuterioethyne;methane

deuterioethyne;methane (PubChem CID 160962868) has the molecular formula C3H6 and a molecular weight of 43.09 g/mol. Its IUPAC name is deuterioethyne;methane.

Molecular Properties

Compound Namedeuterioethyne;methane
PubChem CID160962868
Molecular FormulaC3H6
Molecular Weight43.09 g/mol
Exact Mass43.05
IUPAC Namedeuterioethyne;methane
SMILESC.[2H]C#C
InChIInChI=1S/C2H2.CH4/c1-2;/h1-2H;1H4/i1D;
InChIKeySXFQCTMHFJARRW-RWQOXAPSSA-N
XLogP0.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50043.09
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterioethyne;methane?
The IUPAC name of deuterioethyne;methane (CID 160962868) is deuterioethyne;methane.
What is the SMILES notation for deuterioethyne;methane?
The canonical SMILES for deuterioethyne;methane is C.[2H]C#C.
What is the InChIKey of deuterioethyne;methane?
The InChIKey is SXFQCTMHFJARRW-RWQOXAPSSA-N. The full InChI is InChI=1S/C2H2.CH4/c1-2;/h1-2H;1H4/i1D;.
What are the key properties of deuterioethyne;methane?
deuterioethyne;methane has a molecular weight of 43.09 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioethyne;methane is sourced from PubChem (CID 160962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).