2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate

C9H18O5 — CID 18552285

IUPAC2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
SMILESCC(C)(CO)C(=O)OCCOCCO
InChIInChI=1S/C9H18O5/c1-9(2,7-11)8(12)14-6-5-13-4-3-10/h10-11H,3-7H2,1-2H3
InChIKeyNJSGYARMFOHPQA-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.44
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate

2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate (PubChem CID 18552285) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
PubChem CID18552285
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
SMILESCC(C)(CO)C(=O)OCCOCCO
InChIInChI=1S/C9H18O5/c1-9(2,7-11)8(12)14-6-5-13-4-3-10/h10-11H,3-7H2,1-2H3
InChIKeyNJSGYARMFOHPQA-UHFFFAOYSA-N
XLogP-0.44
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
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-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
3-hydroxypropyl 3-hydroxy-2,2-dimethylpropanoate
CID 56633578
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
CID 89246504
2,2-dimethylpropane-1,3-diol;3-hydroxy-2,2-dimethylpropanoic acid;2-(2-hydroxyethoxy)ethanol
CID 87452046
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 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
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
(4-hydroxy-2,2-dimethylbutyl) 3-hydroxy-2,2-dimethylpropanoate
CID 54059951
2-[2-(2-butoxyethoxy)ethoxy]ethyl 2,2-dimethylbutanoate
CID 89127071
2-[2-(2,2,6,6-tetramethyl-7-oxooctanoyl)oxyethoxy]ethyl 2,2,6,6-tetramethyl-7-oxooctanoate
CID 118372684

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate (CID 18552285) is 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate is CC(C)(CO)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate?
The InChIKey is NJSGYARMFOHPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-9(2,7-11)8(12)14-6-5-13-4-3-10/h10-11H,3-7H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate?
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate has a molecular weight of 206.24 g/mol, XLogP of -0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate is sourced from PubChem (CID 18552285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).