2-ethylhexanoic acid;toluene

C15H24O2 — CID 67379128

IUPAC2-ethylhexanoic acid;toluene
SMILESCCCCC(CC)C(=O)O.Cc1ccccc1
InChIInChI=1S/C8H16O2.C7H8/c1-3-5-6-7(4-2)8(9)10;1-7-5-3-2-4-6-7/h7H,3-6H2,1-2H3,(H,9,10);2-6H,1H3
InChIKeyIJUAIQBIGKNULF-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.28
Rot. Bonds5

About 2-ethylhexanoic acid;toluene

2-ethylhexanoic acid;toluene (PubChem CID 67379128) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-ethylhexanoic acid;toluene.

Molecular Properties

Compound Name2-ethylhexanoic acid;toluene
PubChem CID67379128
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name2-ethylhexanoic acid;toluene
SMILESCCCCC(CC)C(=O)O.Cc1ccccc1
InChIInChI=1S/C8H16O2.C7H8/c1-3-5-6-7(4-2)8(9)10;1-7-5-3-2-4-6-7/h7H,3-6H2,1-2H3,(H,9,10);2-6H,1H3
InChIKeyIJUAIQBIGKNULF-UHFFFAOYSA-N
XLogP4.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
benzoic acid;2-ethylhexanoic acid;propanoic acid
CID 166709274
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
2-ethylhexanoic acid;hexadecane
CID 174408772
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
tris(2-ethylhexanoic acid);propan-2-yl-λ2-stannane
CID 173133127

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoic acid;toluene?
The IUPAC name of 2-ethylhexanoic acid;toluene (CID 67379128) is 2-ethylhexanoic acid;toluene.
What is the SMILES notation for 2-ethylhexanoic acid;toluene?
The canonical SMILES for 2-ethylhexanoic acid;toluene is CCCCC(CC)C(=O)O.Cc1ccccc1.
What is the InChIKey of 2-ethylhexanoic acid;toluene?
The InChIKey is IJUAIQBIGKNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C7H8/c1-3-5-6-7(4-2)8(9)10;1-7-5-3-2-4-6-7/h7H,3-6H2,1-2H3,(H,9,10);2-6H,1H3.
What are the key properties of 2-ethylhexanoic acid;toluene?
2-ethylhexanoic acid;toluene has a molecular weight of 236.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoic acid;toluene is sourced from PubChem (CID 67379128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).