14-(2-methoxyethoxy)-14-oxotetradecanoic acid

C17H32O5 — CID 174560231

IUPAC14-(2-methoxyethoxy)-14-oxotetradecanoic acid
SMILESCOCCOC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-21-14-15-22-17(20)13-11-9-7-5-3-2-4-6-8-10-12-16(18)19/h2-15H2,1H3,(H,18,19)
InChIKeyFMYDQQBOUQESNY-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.94
Rot. Bonds16

About 14-(2-methoxyethoxy)-14-oxotetradecanoic acid

14-(2-methoxyethoxy)-14-oxotetradecanoic acid (PubChem CID 174560231) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 14-(2-methoxyethoxy)-14-oxotetradecanoic acid.

Molecular Properties

Compound Name14-(2-methoxyethoxy)-14-oxotetradecanoic acid
PubChem CID174560231
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name14-(2-methoxyethoxy)-14-oxotetradecanoic acid
SMILESCOCCOC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-21-14-15-22-17(20)13-11-9-7-5-3-2-4-6-8-10-12-16(18)19/h2-15H2,1H3,(H,18,19)
InChIKeyFMYDQQBOUQESNY-UHFFFAOYSA-N
XLogP3.94
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 5-methoxypentanoate
CID 58454735
18-(9-carboxynonanoyloxy)octadecanoic acid
CID 87097649
2-methoxyethyl octanoate
CID 14009347
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
6-[4-[6-[4-[6-[4-[6-[4-[6-[4-[6-[4-(5-carboxypentanoyloxy)butoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoyl]oxybutoxy]-6-oxohexanoic acid
CID 102514507
decanedioic acid;dibutyl hexanedioate
CID 126582409
5-[6-(4-carboxybutanoyloxy)hexoxy]-5-oxopentanoic acid
CID 18380135
8-(10-nonanoyloxydecanoyloxy)octanoic acid
CID 173430215
didecyl hexanedioate;dioctyl hexanedioate;bis(hexanedioic acid)
CID 159854583
28-octadecoxy-28-oxooctacosanoic acid
CID 139682748
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586

Frequently Asked Questions

What is the IUPAC name of 14-(2-methoxyethoxy)-14-oxotetradecanoic acid?
The IUPAC name of 14-(2-methoxyethoxy)-14-oxotetradecanoic acid (CID 174560231) is 14-(2-methoxyethoxy)-14-oxotetradecanoic acid.
What is the SMILES notation for 14-(2-methoxyethoxy)-14-oxotetradecanoic acid?
The canonical SMILES for 14-(2-methoxyethoxy)-14-oxotetradecanoic acid is COCCOC(=O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-(2-methoxyethoxy)-14-oxotetradecanoic acid?
The InChIKey is FMYDQQBOUQESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-21-14-15-22-17(20)13-11-9-7-5-3-2-4-6-8-10-12-16(18)19/h2-15H2,1H3,(H,18,19).
What are the key properties of 14-(2-methoxyethoxy)-14-oxotetradecanoic acid?
14-(2-methoxyethoxy)-14-oxotetradecanoic acid has a molecular weight of 316.44 g/mol, XLogP of 3.94, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-methoxyethoxy)-14-oxotetradecanoic acid is sourced from PubChem (CID 174560231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).