ethane;heptane;pentane

C14H34 — CID 142269041

IUPACethane;heptane;pentane
SMILESCC.CCCCC.CCCCCCC
InChIInChI=1S/C7H16.C5H12.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;3-5H2,1-2H3;1-2H3
InChIKeyRISIYLWWMLUGEN-UHFFFAOYSA-N
MW202.43 g/mol
LogP6.20
Rot. Bonds6

About ethane;heptane;pentane

ethane;heptane;pentane (PubChem CID 142269041) has the molecular formula C14H34 and a molecular weight of 202.43 g/mol. Its IUPAC name is ethane;heptane;pentane.

Molecular Properties

Compound Nameethane;heptane;pentane
PubChem CID142269041
Molecular FormulaC14H34
Molecular Weight202.43 g/mol
Exact Mass202.27
IUPAC Nameethane;heptane;pentane
SMILESCC.CCCCC.CCCCCCC
InChIInChI=1S/C7H16.C5H12.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;3-5H2,1-2H3;1-2H3
InChIKeyRISIYLWWMLUGEN-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.43
LogP ≤ 56.20
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

heptane;hexane;octane;pentane
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ethane;octadecane
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tetrakis(nonane);bis(pentane)
CID 158390230
octane;pentane
CID 19101448
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;pentane?
The IUPAC name of ethane;heptane;pentane (CID 142269041) is ethane;heptane;pentane.
What is the SMILES notation for ethane;heptane;pentane?
The canonical SMILES for ethane;heptane;pentane is CC.CCCCC.CCCCCCC.
What is the InChIKey of ethane;heptane;pentane?
The InChIKey is RISIYLWWMLUGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.C5H12.C2H6/c1-3-5-7-6-4-2;1-3-5-4-2;1-2/h3-7H2,1-2H3;3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;heptane;pentane?
ethane;heptane;pentane has a molecular weight of 202.43 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;pentane is sourced from PubChem (CID 142269041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).