2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate

C12H24O4 — CID 19879658

IUPAC2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCOCCO
InChIInChI=1S/C12H24O4/c1-3-5-6-11(4-2)12(14)16-10-9-15-8-7-13/h11,13H,3-10H2,1-2H3
InChIKeyOUJODCQZWDMXTO-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.75
Rot. Bonds10

About 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate

2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate (PubChem CID 19879658) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
PubChem CID19879658
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCOCCO
InChIInChI=1S/C12H24O4/c1-3-5-6-11(4-2)12(14)16-10-9-15-8-7-13/h11,13H,3-10H2,1-2H3
InChIKeyOUJODCQZWDMXTO-UHFFFAOYSA-N
XLogP1.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.75
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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-ethylhexanoate
CID 139595108
2-[2-[(2R)-2-ethylhexanoyl]oxyethoxy]ethyl (2S)-2-ethylhexanoate
CID 92855750
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
5-[2-(2-hydroxyethoxy)ethoxycarbonyl]heptanoic acid
CID 174815262
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
4-propoxybutyl 2-ethylhexanoate
CID 19804568
2-ethylhexanal;2-[2-[2-(2-ethylhexanoyloxy)ethoxy]ethoxy]ethyl 2-ethylhexanoate;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;bis(2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-ethylhexanoate);methane;methanol;tetrakis(methyl 2-ethylhexanoate);molecular hydrogen
CID 161253540
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
2-hydroxyethyl 2-propylhexanoate
CID 58491956
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194
2-[2-(10-ethyltetradecan-7-yloxy)ethoxy]ethyl 2-ethylhexanoate
CID 157022939

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate (CID 19879658) is 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate?
The InChIKey is OUJODCQZWDMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-3-5-6-11(4-2)12(14)16-10-9-15-8-7-13/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate?
2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate has a molecular weight of 232.32 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate is sourced from PubChem (CID 19879658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).