acetylene;ethane;ethene;methane;prop-1-yne

C16H36 — CID 162268690

IUPACacetylene;ethane;ethene;methane;prop-1-yne
SMILESC.C#C.C#CC.C=C.C=C.CC.CC.CC
InChIInChI=1S/C3H4.3C2H6.2C2H4.C2H2.CH4/c1-3-2;6*1-2;/h1H,2H3;3*1-2H3;2*1-2H2;1-2H;1H4
InChIKeyNDGCGYMKILLECO-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.21
Rot. Bonds

About acetylene;ethane;ethene;methane;prop-1-yne

acetylene;ethane;ethene;methane;prop-1-yne (PubChem CID 162268690) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is acetylene;ethane;ethene;methane;prop-1-yne.

Molecular Properties

Compound Nameacetylene;ethane;ethene;methane;prop-1-yne
PubChem CID162268690
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameacetylene;ethane;ethene;methane;prop-1-yne
SMILESC.C#C.C#CC.C=C.C=C.CC.CC.CC
InChIInChI=1S/C3H4.3C2H6.2C2H4.C2H2.CH4/c1-3-2;6*1-2;/h1H,2H3;3*1-2H3;2*1-2H2;1-2H;1H4
InChIKeyNDGCGYMKILLECO-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;ethane;ethene;methane;prop-1-yne?
The IUPAC name of acetylene;ethane;ethene;methane;prop-1-yne (CID 162268690) is acetylene;ethane;ethene;methane;prop-1-yne.
What is the SMILES notation for acetylene;ethane;ethene;methane;prop-1-yne?
The canonical SMILES for acetylene;ethane;ethene;methane;prop-1-yne is C.C#C.C#CC.C=C.C=C.CC.CC.CC.
What is the InChIKey of acetylene;ethane;ethene;methane;prop-1-yne?
The InChIKey is NDGCGYMKILLECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4.3C2H6.2C2H4.C2H2.CH4/c1-3-2;6*1-2;/h1H,2H3;3*1-2H3;2*1-2H2;1-2H;1H4.
What are the key properties of acetylene;ethane;ethene;methane;prop-1-yne?
acetylene;ethane;ethene;methane;prop-1-yne has a molecular weight of 228.46 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;ethane;ethene;methane;prop-1-yne is sourced from PubChem (CID 162268690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).