deuterio(112C)ethyne

C2H2 — CID 102586288

IUPACdeuterio(112C)ethyne
SMILES[2H][12C]#C
InChIInChI=1S/C2H2/c1-2/h1-2H/i1+0D
InChIKeyHSFWRNGVRCDJHI-TVNFCSRNSA-N
MW27.03 g/mol
LogP0.25
Rot. Bonds

About deuterio(112C)ethyne

deuterio(112C)ethyne (PubChem CID 102586288) has the molecular formula C2H2 and a molecular weight of 27.03 g/mol. Its IUPAC name is deuterio(112C)ethyne.

Molecular Properties

Compound Namedeuterio(112C)ethyne
PubChem CID102586288
Molecular FormulaC2H2
Molecular Weight27.03 g/mol
Exact Mass27.02
IUPAC Namedeuterio(112C)ethyne
SMILES[2H][12C]#C
InChIInChI=1S/C2H2/c1-2/h1-2H/i1+0D
InChIKeyHSFWRNGVRCDJHI-TVNFCSRNSA-N
XLogP0.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50027.03
LogP ≤ 50.25
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

deuterioethyne;methane
CID 160962868
deuterioethyne;methanol
CID 91548362
lithium acetylene
CID 22451030
acetylene;dihydrate
CID 86182394
acetylene;gold
CID 157171931
acetylene;silane
CID 174724950
acetylene;argon
CID 173314278
CID 175844290
CID 175844290
CID 157450299
CID 157450299
acetylene;methane
CID 20536179
acetylene;methane
CID 158461456
acetylene;helium
CID 23443816

Frequently Asked Questions

What is the IUPAC name of deuterio(112C)ethyne?
The IUPAC name of deuterio(112C)ethyne (CID 102586288) is deuterio(112C)ethyne.
What is the SMILES notation for deuterio(112C)ethyne?
The canonical SMILES for deuterio(112C)ethyne is [2H][12C]#C.
What is the InChIKey of deuterio(112C)ethyne?
The InChIKey is HSFWRNGVRCDJHI-TVNFCSRNSA-N. The full InChI is InChI=1S/C2H2/c1-2/h1-2H/i1+0D.
What are the key properties of deuterio(112C)ethyne?
deuterio(112C)ethyne has a molecular weight of 27.03 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(112C)ethyne is sourced from PubChem (CID 102586288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).