ethane;octadecane

C20H44 — CID 143981738

IUPACethane;octadecane
SMILESCC.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C2H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1-2H3
InChIKeyMOZVIJWSMBHNGW-UHFFFAOYSA-N
MW284.57 g/mol
LogP8.29
Rot. Bonds15

About ethane;octadecane

ethane;octadecane (PubChem CID 143981738) has the molecular formula C20H44 and a molecular weight of 284.57 g/mol. Its IUPAC name is ethane;octadecane.

Molecular Properties

Compound Nameethane;octadecane
PubChem CID143981738
Molecular FormulaC20H44
Molecular Weight284.57 g/mol
Exact Mass284.34
IUPAC Nameethane;octadecane
SMILESCC.CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C18H38.C2H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1-2H3
InChIKeyMOZVIJWSMBHNGW-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.57
LogP ≤ 58.29
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;octane
CID 158155293
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848
ethane;heptane;pentane
CID 142269041
ethane;methane;tridecane
CID 159295261
CID 161246447
CID 161246447
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
dohexacontane
CID 522644
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of ethane;octadecane?
The IUPAC name of ethane;octadecane (CID 143981738) is ethane;octadecane.
What is the SMILES notation for ethane;octadecane?
The canonical SMILES for ethane;octadecane is CC.CCCCCCCCCCCCCCCCCC.
What is the InChIKey of ethane;octadecane?
The InChIKey is MOZVIJWSMBHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38.C2H6/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2/h3-18H2,1-2H3;1-2H3.
What are the key properties of ethane;octadecane?
ethane;octadecane has a molecular weight of 284.57 g/mol, XLogP of 8.29, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;octadecane is sourced from PubChem (CID 143981738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).