2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate

C13H26O6 — CID 154107632

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCOCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-13(2,3)12(15)19-11-10-18-9-8-17-7-6-16-5-4-14/h14H,4-11H2,1-3H3
InChIKeyLRTSKBKLEDTZFW-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.62
Rot. Bonds11

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate (PubChem CID 154107632) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
PubChem CID154107632
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCOCCOCCOCCO
InChIInChI=1S/C13H26O6/c1-13(2,3)12(15)19-11-10-18-9-8-17-7-6-16-5-4-14/h14H,4-11H2,1-3H3
InChIKeyLRTSKBKLEDTZFW-UHFFFAOYSA-N
XLogP0.62
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
2-aminooxyethyl 2,2-dimethylpropanoate
CID 130209024
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 87238354
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
CID 141407378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate (CID 154107632) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate?
The InChIKey is LRTSKBKLEDTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O6/c1-13(2,3)12(15)19-11-10-18-9-8-17-7-6-16-5-4-14/h14H,4-11H2,1-3H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate has a molecular weight of 278.34 g/mol, XLogP of 0.62, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 154107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).