acetylene;butane;2,3-dimethylbutane;ethane;ethene

C16H36 — CID 142052367

IUPACacetylene;butane;2,3-dimethylbutane;ethane;ethene
SMILESC#C.C=C.CC.CC(C)C(C)C.CCCC
InChIInChI=1S/C6H14.C4H10.C2H6.C2H4.C2H2/c1-5(2)6(3)4;1-3-4-2;3*1-2/h5-6H,1-4H3;3-4H2,1-2H3;1-2H3;1-2H2;1-2H
InChIKeyOBAPBYKZPUHIDD-UHFFFAOYSA-N
MW228.46 g/mol
LogP6.18
Rot. Bonds2

About acetylene;butane;2,3-dimethylbutane;ethane;ethene

acetylene;butane;2,3-dimethylbutane;ethane;ethene (PubChem CID 142052367) has the molecular formula C16H36 and a molecular weight of 228.46 g/mol. Its IUPAC name is acetylene;butane;2,3-dimethylbutane;ethane;ethene.

Molecular Properties

Compound Nameacetylene;butane;2,3-dimethylbutane;ethane;ethene
PubChem CID142052367
Molecular FormulaC16H36
Molecular Weight228.46 g/mol
Exact Mass228.28
IUPAC Nameacetylene;butane;2,3-dimethylbutane;ethane;ethene
SMILESC#C.C=C.CC.CC(C)C(C)C.CCCC
InChIInChI=1S/C6H14.C4H10.C2H6.C2H4.C2H2/c1-5(2)6(3)4;1-3-4-2;3*1-2/h5-6H,1-4H3;3-4H2,1-2H3;1-2H3;1-2H2;1-2H
InChIKeyOBAPBYKZPUHIDD-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.46
LogP ≤ 56.18
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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Related Compounds

acetylene;butane;ethane;ethene;methane;propane
CID 18349920
2,3-dimethylbutane;ethane;propane
CID 144519619
2,3-dimethylbutane;ethane
CID 143330980
ethane;ethene;methane;2-methylpropane;propane
CID 159536965
(3R)-2,3-dimethylpentane;ethane;ethene
CID 178131669
butane;ethane;ethene;prop-1-ene
CID 144524801
ethane;ethene;2-methylbutane;propane
CID 142006499
CID 169430064
CID 169430064
butane;ethane;methane
CID 162200509
ethane;ethene;propane
CID 143348401
acetylene;4-methylheptane
CID 143164229
butane;ethane;methanol;2-methylbutane
CID 170758487

Frequently Asked Questions

What is the IUPAC name of acetylene;butane;2,3-dimethylbutane;ethane;ethene?
The IUPAC name of acetylene;butane;2,3-dimethylbutane;ethane;ethene (CID 142052367) is acetylene;butane;2,3-dimethylbutane;ethane;ethene.
What is the SMILES notation for acetylene;butane;2,3-dimethylbutane;ethane;ethene?
The canonical SMILES for acetylene;butane;2,3-dimethylbutane;ethane;ethene is C#C.C=C.CC.CC(C)C(C)C.CCCC.
What is the InChIKey of acetylene;butane;2,3-dimethylbutane;ethane;ethene?
The InChIKey is OBAPBYKZPUHIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C4H10.C2H6.C2H4.C2H2/c1-5(2)6(3)4;1-3-4-2;3*1-2/h5-6H,1-4H3;3-4H2,1-2H3;1-2H3;1-2H2;1-2H.
What are the key properties of acetylene;butane;2,3-dimethylbutane;ethane;ethene?
acetylene;butane;2,3-dimethylbutane;ethane;ethene has a molecular weight of 228.46 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;butane;2,3-dimethylbutane;ethane;ethene is sourced from PubChem (CID 142052367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).