2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid

C19H36O6 — CID 45275900

IUPAC2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
SMILESC=CCCCCCCCCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-22-12-13-23-14-15-24-16-17-25-18-19(20)21/h2H,1,3-18H2,(H,20,21)
InChIKeyCQKOCFKZEQIWPL-UHFFFAOYSA-N
MW360.49 g/mol
LogP3.44
Rot. Bonds21

About 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid

2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid (PubChem CID 45275900) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
PubChem CID45275900
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid
SMILESC=CCCCCCCCCCOCCOCCOCCOCC(=O)O
InChIInChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-22-12-13-23-14-15-24-16-17-25-18-19(20)21/h2H,1,3-18H2,(H,20,21)
InChIKeyCQKOCFKZEQIWPL-UHFFFAOYSA-N
XLogP3.44
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 87325659
3-pent-4-enoxypropanoic acid
CID 10034873
2-[2-[2-[2-[2-[2-[2-[2-(11-sulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 154729983
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
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2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
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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-[2-[2-[2-[2-(11-sulfanylundecoxy)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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 101236867
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-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 134694956
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
ethyl 2-hept-6-enoxyacetate
CID 131980625
2-[5-[5-(2-oxoethoxy)pentoxy]pentoxy]acetic acid
CID 166697104
2-dodec-8-enoxyacetic acid
CID 175547698

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid (CID 45275900) is 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid is C=CCCCCCCCCCOCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid?
The InChIKey is CQKOCFKZEQIWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-2-3-4-5-6-7-8-9-10-11-22-12-13-23-14-15-24-16-17-25-18-19(20)21/h2H,1,3-18H2,(H,20,21).
What are the key properties of 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid?
2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid has a molecular weight of 360.49 g/mol, XLogP of 3.44, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-undec-10-enoxyethoxy)ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 45275900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).