ethane;prop-1-ene;undecane

C20H48 — CID 171541850

IUPACethane;prop-1-ene;undecane
SMILESC=CC.CC.CC.CC.CCCCCCCCCCC
InChIInChI=1S/C11H24.C3H6.3C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-2;3*1-2/h3-11H2,1-2H3;3H,1H2,2H3;3*1-2H3
InChIKeyYNVBBLSCGWHXEC-UHFFFAOYSA-N
MW288.60 g/mol
LogP8.81
Rot. Bonds8

About ethane;prop-1-ene;undecane

ethane;prop-1-ene;undecane (PubChem CID 171541850) has the molecular formula C20H48 and a molecular weight of 288.60 g/mol. Its IUPAC name is ethane;prop-1-ene;undecane.

Molecular Properties

Compound Nameethane;prop-1-ene;undecane
PubChem CID171541850
Molecular FormulaC20H48
Molecular Weight288.60 g/mol
Exact Mass288.38
IUPAC Nameethane;prop-1-ene;undecane
SMILESC=CC.CC.CC.CC.CCCCCCCCCCC
InChIInChI=1S/C11H24.C3H6.3C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-2;3*1-2/h3-11H2,1-2H3;3H,1H2,2H3;3*1-2H3
InChIKeyYNVBBLSCGWHXEC-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.60
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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butane;pentane;prop-1-ene
CID 144903825
ethane;octadecane
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ethenol;heptadecane
CID 158851930
butane;ethane;propane;prop-1-ene
CID 143366707
butane;ethane;ethene;prop-1-ene
CID 144524801
ethane;methane;octane
CID 158155293
ethane;heptane;methane
CID 142916060
butane;ethane;heptane
CID 143121250
ethane;tris(heptane);propane
CID 158842848

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;undecane?
The IUPAC name of ethane;prop-1-ene;undecane (CID 171541850) is ethane;prop-1-ene;undecane.
What is the SMILES notation for ethane;prop-1-ene;undecane?
The canonical SMILES for ethane;prop-1-ene;undecane is C=CC.CC.CC.CC.CCCCCCCCCCC.
What is the InChIKey of ethane;prop-1-ene;undecane?
The InChIKey is YNVBBLSCGWHXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24.C3H6.3C2H6/c1-3-5-7-9-11-10-8-6-4-2;1-3-2;3*1-2/h3-11H2,1-2H3;3H,1H2,2H3;3*1-2H3.
What are the key properties of ethane;prop-1-ene;undecane?
ethane;prop-1-ene;undecane has a molecular weight of 288.60 g/mol, XLogP of 8.81, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;undecane is sourced from PubChem (CID 171541850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).