ethene;pentadecanoic acid

C17H34O2 — CID 158692309

IUPACethene;pentadecanoic acid
SMILESC=C.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2/h2-14H2,1H3,(H,16,17);1-2H2
InChIKeyIGMUIRMGRJLBGT-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.96
Rot. Bonds13

About ethene;pentadecanoic acid

ethene;pentadecanoic acid (PubChem CID 158692309) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is ethene;pentadecanoic acid.

Molecular Properties

Compound Nameethene;pentadecanoic acid
PubChem CID158692309
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Nameethene;pentadecanoic acid
SMILESC=C.CCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C15H30O2.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2/h2-14H2,1H3,(H,16,17);1-2H2
InChIKeyIGMUIRMGRJLBGT-UHFFFAOYSA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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;bis(octadecanoic acid)
CID 158437449
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
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
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075

Frequently Asked Questions

What is the IUPAC name of ethene;pentadecanoic acid?
The IUPAC name of ethene;pentadecanoic acid (CID 158692309) is ethene;pentadecanoic acid.
What is the SMILES notation for ethene;pentadecanoic acid?
The canonical SMILES for ethene;pentadecanoic acid is C=C.CCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethene;pentadecanoic acid?
The InChIKey is IGMUIRMGRJLBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2.C2H4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;1-2/h2-14H2,1H3,(H,16,17);1-2H2.
What are the key properties of ethene;pentadecanoic acid?
ethene;pentadecanoic acid has a molecular weight of 270.46 g/mol, XLogP of 5.96, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;pentadecanoic acid is sourced from PubChem (CID 158692309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).