ethane;methane;octane

C15H42 — CID 158155293

IUPACethane;methane;octane
SMILESC.C.C.CC.CC.CCCCCCCC
InChIInChI=1S/C8H18.2C2H6.3CH4/c1-3-5-7-8-6-4-2;2*1-2;;;/h3-8H2,1-2H3;2*1-2H3;3*1H4
InChIKeyFVPJPZZXEBBADS-UHFFFAOYSA-N
MW222.50 g/mol
LogP7.33
Rot. Bonds5

About ethane;methane;octane

ethane;methane;octane (PubChem CID 158155293) has the molecular formula C15H42 and a molecular weight of 222.50 g/mol. Its IUPAC name is ethane;methane;octane.

Molecular Properties

Compound Nameethane;methane;octane
PubChem CID158155293
Molecular FormulaC15H42
Molecular Weight222.50 g/mol
Exact Mass222.33
IUPAC Nameethane;methane;octane
SMILESC.C.C.CC.CC.CCCCCCCC
InChIInChI=1S/C8H18.2C2H6.3CH4/c1-3-5-7-8-6-4-2;2*1-2;;;/h3-8H2,1-2H3;2*1-2H3;3*1H4
InChIKeyFVPJPZZXEBBADS-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;heptane;methane
CID 142916060
ethane;methane;tridecane
CID 159295261
dodecane;methane
CID 22277750
ethane;octadecane
CID 143981738
bis(hexadecane);methane
CID 161318895
bis(hexacosane);methane
CID 157430725
ethane;heptane;pentane
CID 142269041
butane;pentakis(heptane);methane
CID 160660769
methane;octane;dihydrochloride
CID 174397937
azane;methane;undecane
CID 159407970
azane;docosane;methane
CID 175254385
ethane;tris(heptane);propane
CID 158842848

Frequently Asked Questions

What is the IUPAC name of ethane;methane;octane?
The IUPAC name of ethane;methane;octane (CID 158155293) is ethane;methane;octane.
What is the SMILES notation for ethane;methane;octane?
The canonical SMILES for ethane;methane;octane is C.C.C.CC.CC.CCCCCCCC.
What is the InChIKey of ethane;methane;octane?
The InChIKey is FVPJPZZXEBBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.2C2H6.3CH4/c1-3-5-7-8-6-4-2;2*1-2;;;/h3-8H2,1-2H3;2*1-2H3;3*1H4.
What are the key properties of ethane;methane;octane?
ethane;methane;octane has a molecular weight of 222.50 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;octane is sourced from PubChem (CID 158155293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).