2-ethylhexyl 4-ethyl-2-methyloctanoate

C19H38O2 — CID 150137070

IUPAC2-ethylhexyl 4-ethyl-2-methyloctanoate
SMILESCCCCC(CC)COC(=O)C(C)CC(CC)CCCC
InChIInChI=1S/C19H38O2/c1-6-10-12-17(8-3)14-16(5)19(20)21-15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyFCLXTZQBVXWITB-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.99
Rot. Bonds13

About 2-ethylhexyl 4-ethyl-2-methyloctanoate

2-ethylhexyl 4-ethyl-2-methyloctanoate (PubChem CID 150137070) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-ethylhexyl 4-ethyl-2-methyloctanoate.

Molecular Properties

Compound Name2-ethylhexyl 4-ethyl-2-methyloctanoate
PubChem CID150137070
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2-ethylhexyl 4-ethyl-2-methyloctanoate
SMILESCCCCC(CC)COC(=O)C(C)CC(CC)CCCC
InChIInChI=1S/C19H38O2/c1-6-10-12-17(8-3)14-16(5)19(20)21-15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3
InChIKeyFCLXTZQBVXWITB-UHFFFAOYSA-N
XLogP5.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylhexyl 2-methylbutanoate
CID 3023949
2-ethylhexyl 4-ethyl-2-(2-ethylhexyl)octanoate
CID 91272918
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-aminohexanoate
CID 61303871
2-ethylhexyl (2S)-2-aminohexanoate
CID 107145199
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
2-ethylhexyl 2-pyrrolidin-1-ylpropanoate
CID 141096243

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-ethyl-2-methyloctanoate?
The IUPAC name of 2-ethylhexyl 4-ethyl-2-methyloctanoate (CID 150137070) is 2-ethylhexyl 4-ethyl-2-methyloctanoate.
What is the SMILES notation for 2-ethylhexyl 4-ethyl-2-methyloctanoate?
The canonical SMILES for 2-ethylhexyl 4-ethyl-2-methyloctanoate is CCCCC(CC)COC(=O)C(C)CC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl 4-ethyl-2-methyloctanoate?
The InChIKey is FCLXTZQBVXWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-6-10-12-17(8-3)14-16(5)19(20)21-15-18(9-4)13-11-7-2/h16-18H,6-15H2,1-5H3.
What are the key properties of 2-ethylhexyl 4-ethyl-2-methyloctanoate?
2-ethylhexyl 4-ethyl-2-methyloctanoate has a molecular weight of 298.51 g/mol, XLogP of 5.99, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-ethyl-2-methyloctanoate is sourced from PubChem (CID 150137070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).