2-(1-undecoxyethoxy)acetic acid

C15H30O4 — CID 122610996

IUPAC2-(1-undecoxyethoxy)acetic acid
SMILESCCCCCCCCCCCOC(C)OCC(=O)O
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-11-12-18-14(2)19-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyVWXKCSNGMUHYIM-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.98
Rot. Bonds14

About 2-(1-undecoxyethoxy)acetic acid

2-(1-undecoxyethoxy)acetic acid (PubChem CID 122610996) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(1-undecoxyethoxy)acetic acid.

Molecular Properties

Compound Name2-(1-undecoxyethoxy)acetic acid
PubChem CID122610996
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2-(1-undecoxyethoxy)acetic acid
SMILESCCCCCCCCCCCOC(C)OCC(=O)O
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-11-12-18-14(2)19-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChIKeyVWXKCSNGMUHYIM-UHFFFAOYSA-N
XLogP3.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hexoxyhexadecoxy)acetic acid
CID 175401569
3-hexoxybutanoic acid
CID 43536148
(2S)-2-heptoxypropanoic acid
CID 22301798
bis(1-hexoxyethyl) hydrogen phosphate
CID 87400533
2-pentadecoxyacetic acid
CID 19866534
2-nonadecoxyacetic acid
CID 91373626
2-octadecoxyacetic acid
CID 4147678
3,3-dihexadecoxypropanoic acid
CID 88656990
1-(1-hexoxyethoxy)ethanol
CID 22559456
2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 58975663
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716129
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285

Frequently Asked Questions

What is the IUPAC name of 2-(1-undecoxyethoxy)acetic acid?
The IUPAC name of 2-(1-undecoxyethoxy)acetic acid (CID 122610996) is 2-(1-undecoxyethoxy)acetic acid.
What is the SMILES notation for 2-(1-undecoxyethoxy)acetic acid?
The canonical SMILES for 2-(1-undecoxyethoxy)acetic acid is CCCCCCCCCCCOC(C)OCC(=O)O.
What is the InChIKey of 2-(1-undecoxyethoxy)acetic acid?
The InChIKey is VWXKCSNGMUHYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-11-12-18-14(2)19-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-undecoxyethoxy)acetic acid?
2-(1-undecoxyethoxy)acetic acid has a molecular weight of 274.40 g/mol, XLogP of 3.98, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-undecoxyethoxy)acetic acid is sourced from PubChem (CID 122610996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).