acetylene;methane

C116H224 — CID 20536179

IUPACacetylene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C
InChIInChI=1S/40C2H2.36CH4/c40*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1-2H;36*1H4
InChIKeyPOIGOWRQAHNJTK-UHFFFAOYSA-N
MW1619.07 g/mol
LogP32.88
Rot. Bonds

About acetylene;methane

acetylene;methane (PubChem CID 20536179) has the molecular formula C116H224 and a molecular weight of 1619.07 g/mol. Its IUPAC name is acetylene;methane.

Molecular Properties

Compound Nameacetylene;methane
PubChem CID20536179
Molecular FormulaC116H224
Molecular Weight1619.07 g/mol
Exact Mass1617.75
IUPAC Nameacetylene;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C
InChIInChI=1S/40C2H2.36CH4/c40*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1-2H;36*1H4
InChIKeyPOIGOWRQAHNJTK-UHFFFAOYSA-N
XLogP32.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001619.07
LogP ≤ 532.88
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

acetylene;methane
CID 158461456
acetylene;methane
CID 158271732
deuterioethyne;methane
CID 160962868
CID 175279757
CID 175279757
acetylene;dihydrate
CID 86182394
lithium acetylene
CID 22451030
acetylene;gold
CID 157171931
acetylene;silane
CID 174724950
acetylene;argon
CID 173314278
CID 175844290
CID 175844290
CID 157450299
CID 157450299
acetylene;helium
CID 23443816

Frequently Asked Questions

What is the IUPAC name of acetylene;methane?
The IUPAC name of acetylene;methane (CID 20536179) is acetylene;methane.
What is the SMILES notation for acetylene;methane?
The canonical SMILES for acetylene;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.C#C.
What is the InChIKey of acetylene;methane?
The InChIKey is POIGOWRQAHNJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/40C2H2.36CH4/c40*1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h40*1-2H;36*1H4.
What are the key properties of acetylene;methane?
acetylene;methane has a molecular weight of 1619.07 g/mol, XLogP of 32.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;methane is sourced from PubChem (CID 20536179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).