2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate

C23H46O7 — CID 56949346

IUPAC2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOC(=O)C(C)O
InChIInChI=1S/C23H46O7/c1-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-23(25)22(2)24/h22,24H,3-21H2,1-2H3
InChIKeyPCOQHJVATIGEGO-UHFFFAOYSA-N
MW434.61 g/mol
LogP3.90
Rot. Bonds24

About 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate

2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate (PubChem CID 56949346) has the molecular formula C23H46O7 and a molecular weight of 434.61 g/mol. Its IUPAC name is 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
PubChem CID56949346
Molecular FormulaC23H46O7
Molecular Weight434.61 g/mol
Exact Mass434.32
IUPAC Name2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
SMILESCCCCCCCCCCCCOCCOCCOCCOCCOC(=O)C(C)O
InChIInChI=1S/C23H46O7/c1-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-23(25)22(2)24/h22,24H,3-21H2,1-2H3
InChIKeyPCOQHJVATIGEGO-UHFFFAOYSA-N
XLogP3.90
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
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-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate?
The IUPAC name of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate (CID 56949346) is 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate.
What is the SMILES notation for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate?
The canonical SMILES for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate is CCCCCCCCCCCCOCCOCCOCCOCCOC(=O)C(C)O.
What is the InChIKey of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate?
The InChIKey is PCOQHJVATIGEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O7/c1-3-4-5-6-7-8-9-10-11-12-13-26-14-15-27-16-17-28-18-19-29-20-21-30-23(25)22(2)24/h22,24H,3-21H2,1-2H3.
What are the key properties of 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate?
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate has a molecular weight of 434.61 g/mol, XLogP of 3.90, 24 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate is sourced from PubChem (CID 56949346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).