3-ethoxypropan-1-ol;octadecanoic acid

C23H48O4 — CID 174469780

IUPAC3-ethoxypropan-1-ol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCOCCCO
InChIInChI=1S/C18H36O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-5-3-4-6/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3
InChIKeyBQLAHRNBNUXJIH-UHFFFAOYSA-N
MW388.63 g/mol
LogP6.74
Rot. Bonds20

About 3-ethoxypropan-1-ol;octadecanoic acid

3-ethoxypropan-1-ol;octadecanoic acid (PubChem CID 174469780) has the molecular formula C23H48O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 3-ethoxypropan-1-ol;octadecanoic acid.

Molecular Properties

Compound Name3-ethoxypropan-1-ol;octadecanoic acid
PubChem CID174469780
Molecular FormulaC23H48O4
Molecular Weight388.63 g/mol
Exact Mass388.36
IUPAC Name3-ethoxypropan-1-ol;octadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCOCCCO
InChIInChI=1S/C18H36O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-5-3-4-6/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3
InChIKeyBQLAHRNBNUXJIH-UHFFFAOYSA-N
XLogP6.74
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-pentoxypentadecanoic acid
CID 89280169
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
heptanoic acid;bis(octadecan-1-ol);octanoic acid
CID 175488622
dodecanoic acid;hexadecan-1-ol;octadecane
CID 175592035
dodecane-1,12-diol;dodecanoic acid
CID 87364102
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
butan-1-ol;octadecanoic acid;zirconium
CID 141168170
butan-1-ol;decanedioic acid
CID 174423562
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypropan-1-ol;octadecanoic acid?
The IUPAC name of 3-ethoxypropan-1-ol;octadecanoic acid (CID 174469780) is 3-ethoxypropan-1-ol;octadecanoic acid.
What is the SMILES notation for 3-ethoxypropan-1-ol;octadecanoic acid?
The canonical SMILES for 3-ethoxypropan-1-ol;octadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)O.CCOCCCO.
What is the InChIKey of 3-ethoxypropan-1-ol;octadecanoic acid?
The InChIKey is BQLAHRNBNUXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C5H12O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-7-5-3-4-6/h2-17H2,1H3,(H,19,20);6H,2-5H2,1H3.
What are the key properties of 3-ethoxypropan-1-ol;octadecanoic acid?
3-ethoxypropan-1-ol;octadecanoic acid has a molecular weight of 388.63 g/mol, XLogP of 6.74, 20 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypropan-1-ol;octadecanoic acid is sourced from PubChem (CID 174469780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).