2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid

C21H42O5 — CID 122611141

IUPAC2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
SMILESCCCCCCCCCCCCCCCOC(OCCOCC)C(=O)O
InChIInChI=1S/C21H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-21(20(22)23)26-19-18-24-4-2/h21H,3-19H2,1-2H3,(H,22,23)
InChIKeySFPNAZDUYBBCAB-UHFFFAOYSA-N
MW374.56 g/mol
LogP5.56
Rot. Bonds21

About 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid

2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid (PubChem CID 122611141) has the molecular formula C21H42O5 and a molecular weight of 374.56 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
PubChem CID122611141
Molecular FormulaC21H42O5
Molecular Weight374.56 g/mol
Exact Mass374.30
IUPAC Name2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid
SMILESCCCCCCCCCCCCCCCOC(OCCOCC)C(=O)O
InChIInChI=1S/C21H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-21(20(22)23)26-19-18-24-4-2/h21H,3-19H2,1-2H3,(H,22,23)
InChIKeySFPNAZDUYBBCAB-UHFFFAOYSA-N
XLogP5.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 55.56
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-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-icosoxyacetic acid
CID 122612089
2-ethoxy-2-undecoxyacetic acid
CID 122610994
2-ethoxy-2-octoxyacetic acid
CID 122612440
(2S)-2-heptoxypropanoic acid
CID 22301798
3,3-dihexadecoxypropanoic acid
CID 88656990
2-dodecan-3-yloxy-2-(3-hydroxypropoxy)acetic acid
CID 57131175
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
2-decoxydecanoic acid
CID 152638766
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
2-hexoxy-2-(3-oxopent-1-en-2-ylamino)oxyacetic acid
CID 123594642
1-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-hexoxyethanol
CID 90068149

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid?
The IUPAC name of 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid (CID 122611141) is 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid is CCCCCCCCCCCCCCCOC(OCCOCC)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid?
The InChIKey is SFPNAZDUYBBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-25-21(20(22)23)26-19-18-24-4-2/h21H,3-19H2,1-2H3,(H,22,23).
What are the key properties of 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid?
2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid has a molecular weight of 374.56 g/mol, XLogP of 5.56, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-2-pentadecoxyacetic acid is sourced from PubChem (CID 122611141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).