2-hydroxyethyl 2-ethylhexanoate

C10H20O3 — CID 10397600

IUPAC2-hydroxyethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCO
InChIInChI=1S/C10H20O3/c1-3-5-6-9(4-2)10(12)13-8-7-11/h9,11H,3-8H2,1-2H3
InChIKeyQAXOFQZVRNEBFD-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds7

About 2-hydroxyethyl 2-ethylhexanoate

2-hydroxyethyl 2-ethylhexanoate (PubChem CID 10397600) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hydroxyethyl 2-ethylhexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-ethylhexanoate
PubChem CID10397600
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hydroxyethyl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)OCCO
InChIInChI=1S/C10H20O3/c1-3-5-6-9(4-2)10(12)13-8-7-11/h9,11H,3-8H2,1-2H3
InChIKeyQAXOFQZVRNEBFD-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethoxy)ethyl 2-ethylhexanoate
CID 19879658
2-hydroxyethyl 2-propylhexanoate
CID 58491956
3-[(2S)-2-ethylhexanoyl]oxypropyl (2R)-2-ethylhexanoate
CID 125473302
butyl 2-ethylhexanoate;λ2-stannane
CID 174507842
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
hexadecyl 2-ethyldecanoate
CID 22665192
decyl 2-ethyldecanoate
CID 22665194
4-propoxybutyl 2-ethylhexanoate
CID 19804568
carbonic acid;ethyl 2-ethylhexanoate
CID 175024500
butyl 2-butylhexanoate;stannane
CID 172996715
2-hydroxyethyl 6-amino-2-ethyl-5-methyl-6-oxohexanoate
CID 22892686

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-ethylhexanoate?
The IUPAC name of 2-hydroxyethyl 2-ethylhexanoate (CID 10397600) is 2-hydroxyethyl 2-ethylhexanoate.
What is the SMILES notation for 2-hydroxyethyl 2-ethylhexanoate?
The canonical SMILES for 2-hydroxyethyl 2-ethylhexanoate is CCCCC(CC)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-ethylhexanoate?
The InChIKey is QAXOFQZVRNEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-9(4-2)10(12)13-8-7-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-ethylhexanoate?
2-hydroxyethyl 2-ethylhexanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-ethylhexanoate is sourced from PubChem (CID 10397600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).