ethane;ethene;methane;3-methylpentane;propane

C22H60 — CID 144518187

IUPACethane;ethene;methane;3-methylpentane;propane
SMILESC.C.C=C.CC.CC.CC.CCC.CCC.CCC(C)CC
InChIInChI=1S/C6H14.2C3H8.3C2H6.C2H4.2CH4/c1-4-6(3)5-2;2*1-3-2;4*1-2;;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;3*1-2H3;1-2H2;2*1H4
InChIKeyDTIYEYINKMCYLU-UHFFFAOYSA-N
MW324.72 g/mol
LogP10.43
Rot. Bonds2

About ethane;ethene;methane;3-methylpentane;propane

ethane;ethene;methane;3-methylpentane;propane (PubChem CID 144518187) has the molecular formula C22H60 and a molecular weight of 324.72 g/mol. Its IUPAC name is ethane;ethene;methane;3-methylpentane;propane.

Molecular Properties

Compound Nameethane;ethene;methane;3-methylpentane;propane
PubChem CID144518187
Molecular FormulaC22H60
Molecular Weight324.72 g/mol
Exact Mass324.47
IUPAC Nameethane;ethene;methane;3-methylpentane;propane
SMILESC.C.C=C.CC.CC.CC.CCC.CCC.CCC(C)CC
InChIInChI=1S/C6H14.2C3H8.3C2H6.C2H4.2CH4/c1-4-6(3)5-2;2*1-3-2;4*1-2;;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;3*1-2H3;1-2H2;2*1H4
InChIKeyDTIYEYINKMCYLU-UHFFFAOYSA-N
XLogP10.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.72
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 159536965
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CID 157285128
ethane;ethene;2-methylbutane;propane
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CID 144914279
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CID 162144061
ethane;ethene;propane
CID 143348401
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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;methane;3-methylpentane;propane?
The IUPAC name of ethane;ethene;methane;3-methylpentane;propane (CID 144518187) is ethane;ethene;methane;3-methylpentane;propane.
What is the SMILES notation for ethane;ethene;methane;3-methylpentane;propane?
The canonical SMILES for ethane;ethene;methane;3-methylpentane;propane is C.C.C=C.CC.CC.CC.CCC.CCC.CCC(C)CC.
What is the InChIKey of ethane;ethene;methane;3-methylpentane;propane?
The InChIKey is DTIYEYINKMCYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.2C3H8.3C2H6.C2H4.2CH4/c1-4-6(3)5-2;2*1-3-2;4*1-2;;/h6H,4-5H2,1-3H3;2*3H2,1-2H3;3*1-2H3;1-2H2;2*1H4.
What are the key properties of ethane;ethene;methane;3-methylpentane;propane?
ethane;ethene;methane;3-methylpentane;propane has a molecular weight of 324.72 g/mol, XLogP of 10.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methane;3-methylpentane;propane is sourced from PubChem (CID 144518187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).