ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate

C11H22O5 — CID 156632731

IUPACethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate
SMILESCCCCC(O)OC(C)OCC(=O)OCC
InChIInChI=1S/C11H22O5/c1-4-6-7-10(12)16-9(3)15-8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyNESNJYNSKJJCJX-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.44
Rot. Bonds9

About ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate

ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate (PubChem CID 156632731) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate
PubChem CID156632731
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nameethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate
SMILESCCCCC(O)OC(C)OCC(=O)OCC
InChIInChI=1S/C11H22O5/c1-4-6-7-10(12)16-9(3)15-8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3
InChIKeyNESNJYNSKJJCJX-UHFFFAOYSA-N
XLogP1.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(1-ethoxyethoxy)decanoate
CID 155100374
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ethyl 2-(1-hydroxy-3-oxobutoxy)acetate
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ethyl 4,5-dimethylnonanoate
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ethyl (5R)-5-hydroxynonanoate
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4-O-ethyl 1-O-hexan-2-yl 2-hydroxybutanedioate
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ethyl 2-methylhexanoate
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ethyl 3-ethyl-2-methylheptanoate
CID 144913747
ethyl 2-[(2S)-1-aminopropan-2-yl]oxyacetate;hydrochloride
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ethyl (2R,3S)-2,3-dimethylheptanoate
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ethyl 2-butoxyacetate
CID 14419651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate?
The IUPAC name of ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate (CID 156632731) is ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate?
The canonical SMILES for ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate is CCCCC(O)OC(C)OCC(=O)OCC.
What is the InChIKey of ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate?
The InChIKey is NESNJYNSKJJCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-4-6-7-10(12)16-9(3)15-8-11(13)14-5-2/h9-10,12H,4-8H2,1-3H3.
What are the key properties of ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate?
ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate has a molecular weight of 234.29 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1-hydroxypentoxy)ethoxy]acetate is sourced from PubChem (CID 156632731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).