16-(1-methoxyethoxymethoxy)hexadecanoic acid

C20H40O5 — CID 19032988

IUPAC16-(1-methoxyethoxymethoxy)hexadecanoic acid
SMILESCOC(C)OCOCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O5/c1-19(23-2)25-18-24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyLXJWAIIRUVGZOQ-UHFFFAOYSA-N
MW360.54 g/mol
LogP5.52
Rot. Bonds20

About 16-(1-methoxyethoxymethoxy)hexadecanoic acid

16-(1-methoxyethoxymethoxy)hexadecanoic acid (PubChem CID 19032988) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 16-(1-methoxyethoxymethoxy)hexadecanoic acid.

Molecular Properties

Compound Name16-(1-methoxyethoxymethoxy)hexadecanoic acid
PubChem CID19032988
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name16-(1-methoxyethoxymethoxy)hexadecanoic acid
SMILESCOC(C)OCOCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C20H40O5/c1-19(23-2)25-18-24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(21)22/h19H,3-18H2,1-2H3,(H,21,22)
InChIKeyLXJWAIIRUVGZOQ-UHFFFAOYSA-N
XLogP5.52
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxyethoxymethoxy)acetic acid
CID 87346668
8-(3-carboxypropoxy)octanoic acid
CID 154155651
6-(1-methoxyethoxy)-6-oxohexanoic acid
CID 87368895
4-(7-methoxyheptoxy)butanoic acid
CID 15409527
15-pentoxypentadecanoic acid
CID 89280169
24-(4-methoxybutoxy)-20-oxotetracosanoic acid
CID 58527676
6-(hexoxymethoxy)-6-oxohexanoic acid
CID 174474614
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
trichloro-[3-(1-methoxyethoxymethoxy)propyl]silane
CID 87213925
12-[(1R,3R)-1,3-dihydroxy-4-methoxypentoxy]dodecanoic acid
CID 144528439
7-methylperoxyheptanoic acid
CID 156663911
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459

Frequently Asked Questions

What is the IUPAC name of 16-(1-methoxyethoxymethoxy)hexadecanoic acid?
The IUPAC name of 16-(1-methoxyethoxymethoxy)hexadecanoic acid (CID 19032988) is 16-(1-methoxyethoxymethoxy)hexadecanoic acid.
What is the SMILES notation for 16-(1-methoxyethoxymethoxy)hexadecanoic acid?
The canonical SMILES for 16-(1-methoxyethoxymethoxy)hexadecanoic acid is COC(C)OCOCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 16-(1-methoxyethoxymethoxy)hexadecanoic acid?
The InChIKey is LXJWAIIRUVGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-19(23-2)25-18-24-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20(21)22/h19H,3-18H2,1-2H3,(H,21,22).
What are the key properties of 16-(1-methoxyethoxymethoxy)hexadecanoic acid?
16-(1-methoxyethoxymethoxy)hexadecanoic acid has a molecular weight of 360.54 g/mol, XLogP of 5.52, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(1-methoxyethoxymethoxy)hexadecanoic acid is sourced from PubChem (CID 19032988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).