ethane;ethene;2-methylbutane;propane

C12H30 — CID 142006499

IUPACethane;ethene;2-methylbutane;propane
SMILESC=C.CC.CCC.CCC(C)C
InChIInChI=1S/C5H12.C3H8.C2H6.C2H4/c1-4-5(2)3;1-3-2;2*1-2/h5H,4H2,1-3H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyAITKEHOFGVKBPH-UHFFFAOYSA-N
MW174.37 g/mol
LogP5.30
Rot. Bonds1

About ethane;ethene;2-methylbutane;propane

ethane;ethene;2-methylbutane;propane (PubChem CID 142006499) has the molecular formula C12H30 and a molecular weight of 174.37 g/mol. Its IUPAC name is ethane;ethene;2-methylbutane;propane.

Molecular Properties

Compound Nameethane;ethene;2-methylbutane;propane
PubChem CID142006499
Molecular FormulaC12H30
Molecular Weight174.37 g/mol
Exact Mass174.23
IUPAC Nameethane;ethene;2-methylbutane;propane
SMILESC=C.CC.CCC.CCC(C)C
InChIInChI=1S/C5H12.C3H8.C2H6.C2H4/c1-4-5(2)3;1-3-2;2*1-2/h5H,4H2,1-3H3;3H2,1-2H3;1-2H3;1-2H2
InChIKeyAITKEHOFGVKBPH-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500174.37
LogP ≤ 55.30
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

ethane;ethene;methane;2-methylbutane;propane;vanadium
CID 157285128
ethane;methane;2-methylbutane;propane
CID 162144061
CID 164983427
CID 164983427
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
ethane;ethene;methane;2-methylpropane;propane
CID 159536965
argon;butane;ethane;methane;2-methylbutane;propane
CID 157426988
ethane;ethene;methane;3-methylpentane;propane
CID 144518187
2-methylbutane;yttrium
CID 157105537
2-methylbutane;nickel
CID 159021520
ethane;ethene;propane
CID 143348401
ethane;2-methylbutane;prop-1-en-2-amine
CID 144735709

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-methylbutane;propane?
The IUPAC name of ethane;ethene;2-methylbutane;propane (CID 142006499) is ethane;ethene;2-methylbutane;propane.
What is the SMILES notation for ethane;ethene;2-methylbutane;propane?
The canonical SMILES for ethane;ethene;2-methylbutane;propane is C=C.CC.CCC.CCC(C)C.
What is the InChIKey of ethane;ethene;2-methylbutane;propane?
The InChIKey is AITKEHOFGVKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8.C2H6.C2H4/c1-4-5(2)3;1-3-2;2*1-2/h5H,4H2,1-3H3;3H2,1-2H3;1-2H3;1-2H2.
What are the key properties of ethane;ethene;2-methylbutane;propane?
ethane;ethene;2-methylbutane;propane has a molecular weight of 174.37 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-methylbutane;propane is sourced from PubChem (CID 142006499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).