2-ethylhexyl butanoate;2-methoxyethanol

C15H32O4 — CID 174874181

IUPAC2-ethylhexyl butanoate;2-methoxyethanol
SMILESCCCCC(CC)COC(=O)CCC.COCCO
InChIInChI=1S/C12H24O2.C3H8O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2;1-5-3-2-4/h11H,4-10H2,1-3H3;4H,2-3H2,1H3
InChIKeyYYZDFRKEDYTXCQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.17
Rot. Bonds10

About 2-ethylhexyl butanoate;2-methoxyethanol

2-ethylhexyl butanoate;2-methoxyethanol (PubChem CID 174874181) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-ethylhexyl butanoate;2-methoxyethanol.

Molecular Properties

Compound Name2-ethylhexyl butanoate;2-methoxyethanol
PubChem CID174874181
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2-ethylhexyl butanoate;2-methoxyethanol
SMILESCCCCC(CC)COC(=O)CCC.COCCO
InChIInChI=1S/C12H24O2.C3H8O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2;1-5-3-2-4/h11H,4-10H2,1-3H3;4H,2-3H2,1H3
InChIKeyYYZDFRKEDYTXCQ-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 4-methylpentanoate
CID 134988368
2-ethylhexyl 16-[16-(2-ethylhexoxy)-16-oxohexadecoxy]hexadecanoate
CID 91184211
bis(2-ethylhexyl) decanedioate;dinonyl hexanedioate
CID 23616703
7-O-(2-ethylhexyl) 1-O-tetradecyl heptanedioate
CID 91717937
1-O-dodecyl 5-O-(2-ethylhexyl) pentanedioate
CID 91707746
2-ethylhexyl 4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469950
6-O-(2-ethylhexyl) 1-O-tetradecyl hexanedioate
CID 91713297
10-(2-ethylhexoxy)-10-oxodecanoic acid;hexane-1,6-diol
CID 121376570
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl butanoate;2-methoxyethanol?
The IUPAC name of 2-ethylhexyl butanoate;2-methoxyethanol (CID 174874181) is 2-ethylhexyl butanoate;2-methoxyethanol.
What is the SMILES notation for 2-ethylhexyl butanoate;2-methoxyethanol?
The canonical SMILES for 2-ethylhexyl butanoate;2-methoxyethanol is CCCCC(CC)COC(=O)CCC.COCCO.
What is the InChIKey of 2-ethylhexyl butanoate;2-methoxyethanol?
The InChIKey is YYZDFRKEDYTXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C3H8O2/c1-4-7-9-11(6-3)10-14-12(13)8-5-2;1-5-3-2-4/h11H,4-10H2,1-3H3;4H,2-3H2,1H3.
What are the key properties of 2-ethylhexyl butanoate;2-methoxyethanol?
2-ethylhexyl butanoate;2-methoxyethanol has a molecular weight of 276.42 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl butanoate;2-methoxyethanol is sourced from PubChem (CID 174874181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).