butane;ethane;heptane

C15H38 — CID 143121250

IUPACbutane;ethane;heptane
SMILESCC.CC.CCCC.CCCCCCC
InChIInChI=1S/C7H16.C4H10.2C2H6/c1-3-5-7-6-4-2;1-3-4-2;2*1-2/h3-7H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyQNMFXBQWLIEHTG-UHFFFAOYSA-N
MW218.47 g/mol
LogP6.84
Rot. Bonds5

About butane;ethane;heptane

butane;ethane;heptane (PubChem CID 143121250) has the molecular formula C15H38 and a molecular weight of 218.47 g/mol. Its IUPAC name is butane;ethane;heptane.

Molecular Properties

Compound Namebutane;ethane;heptane
PubChem CID143121250
Molecular FormulaC15H38
Molecular Weight218.47 g/mol
Exact Mass218.30
IUPAC Namebutane;ethane;heptane
SMILESCC.CC.CCCC.CCCCCCC
InChIInChI=1S/C7H16.C4H10.2C2H6/c1-3-5-7-6-4-2;1-3-4-2;2*1-2/h3-7H2,1-2H3;3-4H2,1-2H3;2*1-2H3
InChIKeyQNMFXBQWLIEHTG-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.47
LogP ≤ 56.84
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

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heptadecane;hydrazine
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butane;pentakis(heptane);methane
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butane;ethane;hexane;propane
CID 167704000
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;tris(heptane);propane
CID 158842848
hydrazine;pentadecane
CID 174880620
ethane;heptane;pentane
CID 142269041
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
dohexacontane
CID 522644

Frequently Asked Questions

What is the IUPAC name of butane;ethane;heptane?
The IUPAC name of butane;ethane;heptane (CID 143121250) is butane;ethane;heptane.
What is the SMILES notation for butane;ethane;heptane?
The canonical SMILES for butane;ethane;heptane is CC.CC.CCCC.CCCCCCC.
What is the InChIKey of butane;ethane;heptane?
The InChIKey is QNMFXBQWLIEHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C4H10.2C2H6/c1-3-5-7-6-4-2;1-3-4-2;2*1-2/h3-7H2,1-2H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;ethane;heptane?
butane;ethane;heptane has a molecular weight of 218.47 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;heptane is sourced from PubChem (CID 143121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).