ethene;bis(octadecanoic acid)

C40H80O4 — CID 158437449

IUPACethene;bis(octadecanoic acid)
SMILESC=C.C=C.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C18H36O2.2C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-2/h2*2-17H2,1H3,(H,19,20);2*1-2H2
InChIKeyHCKFJSZGKJINHE-UHFFFAOYSA-N
MW625.08 g/mol
LogP14.27
Rot. Bonds32

About ethene;bis(octadecanoic acid)

ethene;bis(octadecanoic acid) (PubChem CID 158437449) has the molecular formula C40H80O4 and a molecular weight of 625.08 g/mol. Its IUPAC name is ethene;bis(octadecanoic acid).

Molecular Properties

Compound Nameethene;bis(octadecanoic acid)
PubChem CID158437449
Molecular FormulaC40H80O4
Molecular Weight625.08 g/mol
Exact Mass624.61
IUPAC Nameethene;bis(octadecanoic acid)
SMILESC=C.C=C.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C18H36O2.2C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-2/h2*2-17H2,1H3,(H,19,20);2*1-2H2
InChIKeyHCKFJSZGKJINHE-UHFFFAOYSA-N
XLogP14.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds32
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.08
LogP ≤ 514.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

ethene;pentadecanoic acid
CID 158692309
ethene;bis(hexadecanoic acid)
CID 159407360
docosanoic acid;ethene;hydrate
CID 172812144
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of ethene;bis(octadecanoic acid)?
The IUPAC name of ethene;bis(octadecanoic acid) (CID 158437449) is ethene;bis(octadecanoic acid).
What is the SMILES notation for ethene;bis(octadecanoic acid)?
The canonical SMILES for ethene;bis(octadecanoic acid) is C=C.C=C.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethene;bis(octadecanoic acid)?
The InChIKey is HCKFJSZGKJINHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H36O2.2C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-2/h2*2-17H2,1H3,(H,19,20);2*1-2H2.
What are the key properties of ethene;bis(octadecanoic acid)?
ethene;bis(octadecanoic acid) has a molecular weight of 625.08 g/mol, XLogP of 14.27, 32 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(octadecanoic acid) is sourced from PubChem (CID 158437449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).