zinc;ethane;undec-1-ene

C13H26Zn — CID 173301253

IUPACzinc;ethane;undec-1-ene
SMILESC=CCCCCCCCC[CH2-].[CH2-]C.[Zn+2]
InChIInChI=1S/C11H21.C2H5.Zn/c1-3-5-7-9-11-10-8-6-4-2;1-2;/h3H,1-2,4-11H2;1H2,2H3;/q2*-1;+2
InChIKeyJYEIXMNDVWVJHM-UHFFFAOYSA-N
MW247.74 g/mol
LogP4.97
Rot. Bonds8

About zinc;ethane;undec-1-ene

zinc;ethane;undec-1-ene (PubChem CID 173301253) has the molecular formula C13H26Zn and a molecular weight of 247.74 g/mol. Its IUPAC name is zinc;ethane;undec-1-ene.

Molecular Properties

Compound Namezinc;ethane;undec-1-ene
PubChem CID173301253
Molecular FormulaC13H26Zn
Molecular Weight247.74 g/mol
Exact Mass246.13
IUPAC Namezinc;ethane;undec-1-ene
SMILESC=CCCCCCCCC[CH2-].[CH2-]C.[Zn+2]
InChIInChI=1S/C11H21.C2H5.Zn/c1-3-5-7-9-11-10-8-6-4-2;1-2;/h3H,1-2,4-11H2;1H2,2H3;/q2*-1;+2
InChIKeyJYEIXMNDVWVJHM-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

zinc;non-1-ene;propane
CID 173301341
zinc;hex-1-ene;bromide
CID 57375949
lithium hex-1-ene
CID 10964413
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(1Z,5Z)-cycloocta-1,5-diene;bis(dec-1-ene);palladium(2+)
CID 139239681
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of zinc;ethane;undec-1-ene?
The IUPAC name of zinc;ethane;undec-1-ene (CID 173301253) is zinc;ethane;undec-1-ene.
What is the SMILES notation for zinc;ethane;undec-1-ene?
The canonical SMILES for zinc;ethane;undec-1-ene is C=CCCCCCCCC[CH2-].[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;undec-1-ene?
The InChIKey is JYEIXMNDVWVJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21.C2H5.Zn/c1-3-5-7-9-11-10-8-6-4-2;1-2;/h3H,1-2,4-11H2;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;undec-1-ene?
zinc;ethane;undec-1-ene has a molecular weight of 247.74 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;undec-1-ene is sourced from PubChem (CID 173301253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).