ethane;ethene;methane;2-methylpropane;propane

C21H58 — CID 159536965

IUPACethane;ethene;methane;2-methylpropane;propane
SMILESC.C.C=C.CC.CC.CC(C)C.CCC.CCC.CCC
InChIInChI=1S/C4H10.3C3H8.2C2H6.C2H4.2CH4/c1-4(2)3;3*1-3-2;3*1-2;;/h4H,1-3H3;3*3H2,1-2H3;2*1-2H3;1-2H2;2*1H4
InChIKeyMDSFXLUJZRITOE-UHFFFAOYSA-N
MW310.70 g/mol
LogP10.04
Rot. Bonds

About ethane;ethene;methane;2-methylpropane;propane

ethane;ethene;methane;2-methylpropane;propane (PubChem CID 159536965) has the molecular formula C21H58 and a molecular weight of 310.70 g/mol. Its IUPAC name is ethane;ethene;methane;2-methylpropane;propane.

Molecular Properties

Compound Nameethane;ethene;methane;2-methylpropane;propane
PubChem CID159536965
Molecular FormulaC21H58
Molecular Weight310.70 g/mol
Exact Mass310.45
IUPAC Nameethane;ethene;methane;2-methylpropane;propane
SMILESC.C.C=C.CC.CC.CC(C)C.CCC.CCC.CCC
InChIInChI=1S/C4H10.3C3H8.2C2H6.C2H4.2CH4/c1-4(2)3;3*1-3-2;3*1-2;;/h4H,1-3H3;3*3H2,1-2H3;2*1-2H3;1-2H2;2*1H4
InChIKeyMDSFXLUJZRITOE-UHFFFAOYSA-N
XLogP10.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.70
LogP ≤ 510.04
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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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;methane;2-methylpropane;propane?
The IUPAC name of ethane;ethene;methane;2-methylpropane;propane (CID 159536965) is ethane;ethene;methane;2-methylpropane;propane.
What is the SMILES notation for ethane;ethene;methane;2-methylpropane;propane?
The canonical SMILES for ethane;ethene;methane;2-methylpropane;propane is C.C.C=C.CC.CC.CC(C)C.CCC.CCC.CCC.
What is the InChIKey of ethane;ethene;methane;2-methylpropane;propane?
The InChIKey is MDSFXLUJZRITOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.3C3H8.2C2H6.C2H4.2CH4/c1-4(2)3;3*1-3-2;3*1-2;;/h4H,1-3H3;3*3H2,1-2H3;2*1-2H3;1-2H2;2*1H4.
What are the key properties of ethane;ethene;methane;2-methylpropane;propane?
ethane;ethene;methane;2-methylpropane;propane has a molecular weight of 310.70 g/mol, XLogP of 10.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;methane;2-methylpropane;propane is sourced from PubChem (CID 159536965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).