2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid

C19H38O4 — CID 158949436

IUPAC2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
SMILESCCC(C(=O)O)C(C)(C)CC.CCC(C)(C)C(C)(CC)C(=O)O
InChIInChI=1S/C10H20O2.C9H18O2/c1-6-9(3,4)10(5,7-2)8(11)12;1-5-7(8(10)11)9(3,4)6-2/h6-7H2,1-5H3,(H,11,12);7H,5-6H2,1-4H3,(H,10,11)
InChIKeyJLFUXEPUVZTFGW-UHFFFAOYSA-N
MW330.51 g/mol
LogP5.46
Rot. Bonds8

About 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid

2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid (PubChem CID 158949436) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid.

Molecular Properties

Compound Name2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
PubChem CID158949436
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid
SMILESCCC(C(=O)O)C(C)(C)CC.CCC(C)(C)C(C)(CC)C(=O)O
InChIInChI=1S/C10H20O2.C9H18O2/c1-6-9(3,4)10(5,7-2)8(11)12;1-5-7(8(10)11)9(3,4)6-2/h6-7H2,1-5H3,(H,11,12);7H,5-6H2,1-4H3,(H,10,11)
InChIKeyJLFUXEPUVZTFGW-UHFFFAOYSA-N
XLogP5.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
methyl 2-ethyl-3,3-dimethylpentanoate
CID 13113712
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
2-ethyl-2,3,3-trimethylbutanedioic acid
CID 54557426
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077
[3,4-dicarboxyhexan-3-yl(dimethoxy)-λ4-sulfanyl]-sulfanylidenephosphanium
CID 173268073
2-methoxyethyl 2-ethyl-3,3-dimethylpentanoate
CID 142740056
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
2-methyl-2-(trifluoromethyl)butanoic acid;bis(yttrium)
CID 21063652
3-cyano-2-ethyl-3-hydroxybutanoic acid
CID 174847325
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
3-ethyl-2,2-dimethyl-4-oxopentanoic acid
CID 174469035

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid?
The IUPAC name of 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid (CID 158949436) is 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid.
What is the SMILES notation for 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid?
The canonical SMILES for 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid is CCC(C(=O)O)C(C)(C)CC.CCC(C)(C)C(C)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid?
The InChIKey is JLFUXEPUVZTFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C9H18O2/c1-6-9(3,4)10(5,7-2)8(11)12;1-5-7(8(10)11)9(3,4)6-2/h6-7H2,1-5H3,(H,11,12);7H,5-6H2,1-4H3,(H,10,11).
What are the key properties of 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid?
2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid has a molecular weight of 330.51 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethylpentanoic acid;2-ethyl-2,3,3-trimethylpentanoic acid is sourced from PubChem (CID 158949436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).