ethenol;octadecanoic acid

C20H40O3 — CID 87216470

IUPACethenol;octadecanoic acid
SMILESC=CO.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h2-17H2,1H3,(H,19,20);2-3H,1H2
InChIKeyMHHCRWYHGUDNSG-UHFFFAOYSA-N
MW328.54 g/mol
LogP7.02
Rot. Bonds16

About ethenol;octadecanoic acid

ethenol;octadecanoic acid (PubChem CID 87216470) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is ethenol;octadecanoic acid.

Molecular Properties

Compound Nameethenol;octadecanoic acid
PubChem CID87216470
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Nameethenol;octadecanoic acid
SMILESC=CO.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h2-17H2,1H3,(H,19,20);2-3H,1H2
InChIKeyMHHCRWYHGUDNSG-UHFFFAOYSA-N
XLogP7.02
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethenol;octadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethenylsilane;tetradecanoic acid
CID 158229930
ethenylsilane;tris(tetradecanoic acid)
CID 160771132
ethenylsilane;tris(octadecanoic acid)
CID 159903222
formic acid;icosanoic acid
CID 161473849
ethene;bis(octadecanoic acid)
CID 158437449
ethene;pentadecanoic acid
CID 158692309
ethene;bis(hexadecanoic acid)
CID 159407360
(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
bis(decanoic acid);bis(octanoic acid)
CID 160578094

Frequently Asked Questions

What is the IUPAC name of ethenol;octadecanoic acid?
The IUPAC name of ethenol;octadecanoic acid (CID 87216470) is ethenol;octadecanoic acid.
What is the SMILES notation for ethenol;octadecanoic acid?
The canonical SMILES for ethenol;octadecanoic acid is C=CO.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethenol;octadecanoic acid?
The InChIKey is MHHCRWYHGUDNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h2-17H2,1H3,(H,19,20);2-3H,1H2.
What are the key properties of ethenol;octadecanoic acid?
ethenol;octadecanoic acid has a molecular weight of 328.54 g/mol, XLogP of 7.02, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;octadecanoic acid is sourced from PubChem (CID 87216470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).