2-ethylhexyl 6-hydroxyhexanoate

C14H28O3 — CID 14401738

IUPAC2-ethylhexyl 6-hydroxyhexanoate
SMILESCCCCC(CC)COC(=O)CCCCCO
InChIInChI=1S/C14H28O3/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13,15H,3-12H2,1-2H3
InChIKeyIOEZZIWCAHIMFC-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.30
Rot. Bonds11

About 2-ethylhexyl 6-hydroxyhexanoate

2-ethylhexyl 6-hydroxyhexanoate (PubChem CID 14401738) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-ethylhexyl 6-hydroxyhexanoate.

Molecular Properties

Compound Name2-ethylhexyl 6-hydroxyhexanoate
PubChem CID14401738
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-ethylhexyl 6-hydroxyhexanoate
SMILESCCCCC(CC)COC(=O)CCCCCO
InChIInChI=1S/C14H28O3/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13,15H,3-12H2,1-2H3
InChIKeyIOEZZIWCAHIMFC-UHFFFAOYSA-N
XLogP3.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 6-hydroxyhexanoate?
The IUPAC name of 2-ethylhexyl 6-hydroxyhexanoate (CID 14401738) is 2-ethylhexyl 6-hydroxyhexanoate.
What is the SMILES notation for 2-ethylhexyl 6-hydroxyhexanoate?
The canonical SMILES for 2-ethylhexyl 6-hydroxyhexanoate is CCCCC(CC)COC(=O)CCCCCO.
What is the InChIKey of 2-ethylhexyl 6-hydroxyhexanoate?
The InChIKey is IOEZZIWCAHIMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-3-5-9-13(4-2)12-17-14(16)10-7-6-8-11-15/h13,15H,3-12H2,1-2H3.
What are the key properties of 2-ethylhexyl 6-hydroxyhexanoate?
2-ethylhexyl 6-hydroxyhexanoate has a molecular weight of 244.37 g/mol, XLogP of 3.30, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 6-hydroxyhexanoate is sourced from PubChem (CID 14401738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).