4-ethoxybutyl 2-hydroxypropanoate

C9H18O4 — CID 151280591

IUPAC4-ethoxybutyl 2-hydroxypropanoate
SMILESCCOCCCCOC(=O)C(C)O
InChIInChI=1S/C9H18O4/c1-3-12-6-4-5-7-13-9(11)8(2)10/h8,10H,3-7H2,1-2H3
InChIKeyNYHBOBNNQGHQPE-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.73
Rot. Bonds7

About 4-ethoxybutyl 2-hydroxypropanoate

4-ethoxybutyl 2-hydroxypropanoate (PubChem CID 151280591) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-ethoxybutyl 2-hydroxypropanoate.

Molecular Properties

Compound Name4-ethoxybutyl 2-hydroxypropanoate
PubChem CID151280591
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name4-ethoxybutyl 2-hydroxypropanoate
SMILESCCOCCCCOC(=O)C(C)O
InChIInChI=1S/C9H18O4/c1-3-12-6-4-5-7-13-9(11)8(2)10/h8,10H,3-7H2,1-2H3
InChIKeyNYHBOBNNQGHQPE-UHFFFAOYSA-N
XLogP0.73
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-ethoxypropyl) 2-methylpropanedioate
CID 101278684
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
bis(4-ethoxybutyl) (Z)-but-2-enedioate
CID 87899357
ethoxymethyl 2-hydroxypropanoate
CID 87466299
3-ethoxypropyl 2,2-difluoroacetate
CID 88537747
6-ethoxyhexyl acetate
CID 123617931
4-hydroxyhexyl 2-hydroxypropanoate
CID 87122332
6-ethoxy-2-methylhexanoic acid
CID 21074373
6-(2-hydroxyacetyl)oxyhexyl 2-hydroxypropanoate
CID 24937980

Frequently Asked Questions

What is the IUPAC name of 4-ethoxybutyl 2-hydroxypropanoate?
The IUPAC name of 4-ethoxybutyl 2-hydroxypropanoate (CID 151280591) is 4-ethoxybutyl 2-hydroxypropanoate.
What is the SMILES notation for 4-ethoxybutyl 2-hydroxypropanoate?
The canonical SMILES for 4-ethoxybutyl 2-hydroxypropanoate is CCOCCCCOC(=O)C(C)O.
What is the InChIKey of 4-ethoxybutyl 2-hydroxypropanoate?
The InChIKey is NYHBOBNNQGHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-12-6-4-5-7-13-9(11)8(2)10/h8,10H,3-7H2,1-2H3.
What are the key properties of 4-ethoxybutyl 2-hydroxypropanoate?
4-ethoxybutyl 2-hydroxypropanoate has a molecular weight of 190.24 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxybutyl 2-hydroxypropanoate is sourced from PubChem (CID 151280591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).