ethene;bis(hexadecanoic acid)

C34H68O4 — CID 159407360

IUPACethene;bis(hexadecanoic acid)
SMILESC=C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C16H32O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2/h2*2-15H2,1H3,(H,17,18);1-2H2
InChIKeyLODABGQBWJDKKJ-UHFFFAOYSA-N
MW540.91 g/mol
LogP11.91
Rot. Bonds28

About ethene;bis(hexadecanoic acid)

ethene;bis(hexadecanoic acid) (PubChem CID 159407360) has the molecular formula C34H68O4 and a molecular weight of 540.91 g/mol. Its IUPAC name is ethene;bis(hexadecanoic acid).

Molecular Properties

Compound Nameethene;bis(hexadecanoic acid)
PubChem CID159407360
Molecular FormulaC34H68O4
Molecular Weight540.91 g/mol
Exact Mass540.51
IUPAC Nameethene;bis(hexadecanoic acid)
SMILESC=C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C16H32O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2/h2*2-15H2,1H3,(H,17,18);1-2H2
InChIKeyLODABGQBWJDKKJ-UHFFFAOYSA-N
XLogP11.91
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.91
LogP ≤ 511.91
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(octadecanoic acid)
CID 158437449
docosanoic acid;ethene;hydrate
CID 172812144
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988

Frequently Asked Questions

What is the IUPAC name of ethene;bis(hexadecanoic acid)?
The IUPAC name of ethene;bis(hexadecanoic acid) (CID 159407360) is ethene;bis(hexadecanoic acid).
What is the SMILES notation for ethene;bis(hexadecanoic acid)?
The canonical SMILES for ethene;bis(hexadecanoic acid) is C=C.CCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethene;bis(hexadecanoic acid)?
The InChIKey is LODABGQBWJDKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H32O2.C2H4/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2/h2*2-15H2,1H3,(H,17,18);1-2H2.
What are the key properties of ethene;bis(hexadecanoic acid)?
ethene;bis(hexadecanoic acid) has a molecular weight of 540.91 g/mol, XLogP of 11.91, 28 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;bis(hexadecanoic acid) is sourced from PubChem (CID 159407360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).