2-ethylhexyl 2-ethylhexanoate

C16H32O2 — CID 23906

IUPAC2-ethylhexyl 2-ethylhexanoate
SMILESCCCCC(CC)COC(=O)C(CC)CCCC
InChIInChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyOUCGJMIVSYHBEC-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.96
Rot. Bonds11

About 2-ethylhexyl 2-ethylhexanoate

2-ethylhexyl 2-ethylhexanoate (PubChem CID 23906) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-ethylhexyl 2-ethylhexanoate.

Molecular Properties

Compound Name2-ethylhexyl 2-ethylhexanoate
PubChem CID23906
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-ethylhexyl 2-ethylhexanoate
SMILESCCCCC(CC)COC(=O)C(CC)CCCC
InChIInChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3
InChIKeyOUCGJMIVSYHBEC-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 2-ethylhexanoate?
The IUPAC name of 2-ethylhexyl 2-ethylhexanoate (CID 23906) is 2-ethylhexyl 2-ethylhexanoate.
What is the SMILES notation for 2-ethylhexyl 2-ethylhexanoate?
The canonical SMILES for 2-ethylhexyl 2-ethylhexanoate is CCCCC(CC)COC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethylhexyl 2-ethylhexanoate?
The InChIKey is OUCGJMIVSYHBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-5-9-11-14(7-3)13-18-16(17)15(8-4)12-10-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-ethylhexyl 2-ethylhexanoate?
2-ethylhexyl 2-ethylhexanoate has a molecular weight of 256.43 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 2-ethylhexanoate is sourced from PubChem (CID 23906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).