2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate

C15H30O5 — CID 122514665

IUPAC2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
SMILESCCCCCCCCOCCOCCOC(=O)C(C)O
InChIInChI=1S/C15H30O5/c1-3-4-5-6-7-8-9-18-10-11-19-12-13-20-15(17)14(2)16/h14,16H,3-13H2,1-2H3
InChIKeyYKYIVTMPSYKRGQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.30
Rot. Bonds14

About 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate

2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate (PubChem CID 122514665) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
PubChem CID122514665
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Name2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
SMILESCCCCCCCCOCCOCCOC(=O)C(C)O
InChIInChI=1S/C15H30O5/c1-3-4-5-6-7-8-9-18-10-11-19-12-13-20-15(17)14(2)16/h14,16H,3-13H2,1-2H3
InChIKeyYKYIVTMPSYKRGQ-UHFFFAOYSA-N
XLogP2.30
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
2-hexoxyethyl 2-methylpropanoate
CID 88618751
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
2-hexoxyethyl 2-aminopropanoate;hydrochloride
CID 74957486
bis(2-octadecoxyethyl) (E)-but-2-enedioate
CID 175154746
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
2-(2-decoxyethoxy)ethyl acetate
CID 526732
4-ethoxybutyl 2-hydroxypropanoate
CID 151280591
2-(2-butoxyethoxy)ethyl hexyl carbonate
CID 87247659
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741

Frequently Asked Questions

What is the IUPAC name of 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate?
The IUPAC name of 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate (CID 122514665) is 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate?
The canonical SMILES for 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate is CCCCCCCCOCCOCCOC(=O)C(C)O.
What is the InChIKey of 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate?
The InChIKey is YKYIVTMPSYKRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-3-4-5-6-7-8-9-18-10-11-19-12-13-20-15(17)14(2)16/h14,16H,3-13H2,1-2H3.
What are the key properties of 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate?
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate has a molecular weight of 290.40 g/mol, XLogP of 2.30, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate is sourced from PubChem (CID 122514665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).