2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid

C20H38O7 — CID 174568583

IUPAC2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
SMILESCCCCCCCCCCCCOCCOCCOCC(C(=O)O)C(=O)O
InChIInChI=1S/C20H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-15-16-27-17-18(19(21)22)20(23)24/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
InChIKeyBUJVZPSWHNUTHO-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.74
Rot. Bonds21

About 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid

2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid (PubChem CID 174568583) has the molecular formula C20H38O7 and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid.

Molecular Properties

Compound Name2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
PubChem CID174568583
Molecular FormulaC20H38O7
Molecular Weight390.52 g/mol
Exact Mass390.26
IUPAC Name2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
SMILESCCCCCCCCCCCCOCCOCCOCC(C(=O)O)C(=O)O
InChIInChI=1S/C20H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-15-16-27-17-18(19(21)22)20(23)24/h18H,2-17H2,1H3,(H,21,22)(H,23,24)
InChIKeyBUJVZPSWHNUTHO-UHFFFAOYSA-N
XLogP3.74
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-decoxypropanoic acid
CID 134329186
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101104501
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
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-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 175716151
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-(2-nonoxyethoxy)nonane
CID 87982931
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid?
The IUPAC name of 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid (CID 174568583) is 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid.
What is the SMILES notation for 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid?
The canonical SMILES for 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid is CCCCCCCCCCCCOCCOCCOCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid?
The InChIKey is BUJVZPSWHNUTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-25-13-14-26-15-16-27-17-18(19(21)22)20(23)24/h18H,2-17H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid?
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid has a molecular weight of 390.52 g/mol, XLogP of 3.74, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid is sourced from PubChem (CID 174568583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).