2-(2-ethylhexoxy)-2-methylpentanoic acid

C14H28O3 — CID 114994394

IUPAC2-(2-ethylhexoxy)-2-methylpentanoic acid
SMILESCCCCC(CC)COC(C)(CCC)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-8-9-12(7-3)11-17-14(4,10-6-2)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyPVBYDTMEAOLBEG-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.86
Rot. Bonds10

About 2-(2-ethylhexoxy)-2-methylpentanoic acid

2-(2-ethylhexoxy)-2-methylpentanoic acid (PubChem CID 114994394) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-2-methylpentanoic acid
PubChem CID114994394
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-(2-ethylhexoxy)-2-methylpentanoic acid
SMILESCCCCC(CC)COC(C)(CCC)C(=O)O
InChIInChI=1S/C14H28O3/c1-5-8-9-12(7-3)11-17-14(4,10-6-2)13(15)16/h12H,5-11H2,1-4H3,(H,15,16)
InChIKeyPVBYDTMEAOLBEG-UHFFFAOYSA-N
XLogP3.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-(2-ethylhexoxy)butanoic acid
CID 114994393
2-ethylhexyl 2-amino-2-methylbutanoate
CID 79799240
acetic acid;2-ethylhexyl acetate
CID 159619780
2-(2-ethylhexoxy)acetic acid
CID 11651287
tert-butyl 2-(2-ethylhexoxy)propanoate
CID 66337367
tert-butyl 3-ethylheptanoate
CID 545580
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140
[2-(2-ethylhexoxy)-2-oxoethyl]azanium
CID 163684998
(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
1-O-(2-ethylhexyl) 3-O-hexadecyl 2,2-dimethylpropanedioate
CID 91714525
2-ethylhexyl 2-benzhydryl-2-cyanopentanoate
CID 70857192
2-ethoxy-2-methylnonanoic acid
CID 78969453

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-2-methylpentanoic acid?
The IUPAC name of 2-(2-ethylhexoxy)-2-methylpentanoic acid (CID 114994394) is 2-(2-ethylhexoxy)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2-ethylhexoxy)-2-methylpentanoic acid?
The canonical SMILES for 2-(2-ethylhexoxy)-2-methylpentanoic acid is CCCCC(CC)COC(C)(CCC)C(=O)O.
What is the InChIKey of 2-(2-ethylhexoxy)-2-methylpentanoic acid?
The InChIKey is PVBYDTMEAOLBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-5-8-9-12(7-3)11-17-14(4,10-6-2)13(15)16/h12H,5-11H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-ethylhexoxy)-2-methylpentanoic acid?
2-(2-ethylhexoxy)-2-methylpentanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-2-methylpentanoic acid is sourced from PubChem (CID 114994394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).