acetic acid;octadec-1-ene;zinc

C20H40O2Zn — CID 175392389

IUPACacetic acid;octadec-1-ene;zinc
SMILESC=CCCCCCCCCCCCCCCCC.CC(=O)O.[Zn]
InChIInChI=1S/C18H36.C2H4O2.Zn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2(3)4;/h3H,1,4-18H2,2H3;1H3,(H,3,4);
InChIKeySLYGJTXLVILWMO-UHFFFAOYSA-N
MW377.93 g/mol
LogP7.13
Rot. Bonds15

About acetic acid;octadec-1-ene;zinc

acetic acid;octadec-1-ene;zinc (PubChem CID 175392389) has the molecular formula C20H40O2Zn and a molecular weight of 377.93 g/mol. Its IUPAC name is acetic acid;octadec-1-ene;zinc.

Molecular Properties

Compound Nameacetic acid;octadec-1-ene;zinc
PubChem CID175392389
Molecular FormulaC20H40O2Zn
Molecular Weight377.93 g/mol
Exact Mass376.23
IUPAC Nameacetic acid;octadec-1-ene;zinc
SMILESC=CCCCCCCCCCCCCCCCC.CC(=O)O.[Zn]
InChIInChI=1S/C18H36.C2H4O2.Zn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2(3)4;/h3H,1,4-18H2,2H3;1H3,(H,3,4);
InChIKeySLYGJTXLVILWMO-UHFFFAOYSA-N
XLogP7.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.93
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;oct-1-ene
CID 159976970
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
acetic acid;ethene;hex-1-ene
CID 174309563
acetic acid;(5Z)-dodeca-1,5-diene
CID 174529937
hept-1-ene;2-methylprop-2-enoic acid
CID 158713562
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dec-9-enoic acid
CID 87497067
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of acetic acid;octadec-1-ene;zinc?
The IUPAC name of acetic acid;octadec-1-ene;zinc (CID 175392389) is acetic acid;octadec-1-ene;zinc.
What is the SMILES notation for acetic acid;octadec-1-ene;zinc?
The canonical SMILES for acetic acid;octadec-1-ene;zinc is C=CCCCCCCCCCCCCCCCC.CC(=O)O.[Zn].
What is the InChIKey of acetic acid;octadec-1-ene;zinc?
The InChIKey is SLYGJTXLVILWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36.C2H4O2.Zn/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;1-2(3)4;/h3H,1,4-18H2,2H3;1H3,(H,3,4);.
What are the key properties of acetic acid;octadec-1-ene;zinc?
acetic acid;octadec-1-ene;zinc has a molecular weight of 377.93 g/mol, XLogP of 7.13, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;octadec-1-ene;zinc is sourced from PubChem (CID 175392389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).