2-ethylhexanoic acid;hexadecane

C24H50O2 — CID 174408772

IUPAC2-ethylhexanoic acid;hexadecane
SMILESCCCCC(CC)C(=O)O.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C8H16O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-7(4-2)8(9)10/h3-16H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyIJPWNCZKIHGAIQ-UHFFFAOYSA-N
MW370.66 g/mol
LogP8.77
Rot. Bonds18

About 2-ethylhexanoic acid;hexadecane

2-ethylhexanoic acid;hexadecane (PubChem CID 174408772) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 2-ethylhexanoic acid;hexadecane.

Molecular Properties

Compound Name2-ethylhexanoic acid;hexadecane
PubChem CID174408772
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name2-ethylhexanoic acid;hexadecane
SMILESCCCCC(CC)C(=O)O.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C8H16O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-7(4-2)8(9)10/h3-16H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10)
InChIKeyIJPWNCZKIHGAIQ-UHFFFAOYSA-N
XLogP8.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 58.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
(2R)-2-ethyldodecanoic acid
CID 98093060
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
2-ethylhexanoic acid;palladium(2+)
CID 18629949
copper 2-ethylhexanoic acid
CID 54604905
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
bis(2-ethylhexanoic acid);manganese
CID 173402583
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422
cobalt;bis(2-ethylhexanoic acid);nickel
CID 173442875
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexanoic acid;hexadecane?
The IUPAC name of 2-ethylhexanoic acid;hexadecane (CID 174408772) is 2-ethylhexanoic acid;hexadecane.
What is the SMILES notation for 2-ethylhexanoic acid;hexadecane?
The canonical SMILES for 2-ethylhexanoic acid;hexadecane is CCCCC(CC)C(=O)O.CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-ethylhexanoic acid;hexadecane?
The InChIKey is IJPWNCZKIHGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C8H16O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-5-6-7(4-2)8(9)10/h3-16H2,1-2H3;7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-ethylhexanoic acid;hexadecane?
2-ethylhexanoic acid;hexadecane has a molecular weight of 370.66 g/mol, XLogP of 8.77, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexanoic acid;hexadecane is sourced from PubChem (CID 174408772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).