2-ethoxy-2-propylpentanoic acid

C10H20O3 — CID 78969603

IUPAC2-ethoxy-2-propylpentanoic acid
SMILESCCCC(CCC)(OCC)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-7-10(8-5-2,9(11)12)13-6-3/h4-8H2,1-3H3,(H,11,12)
InChIKeyFSJXWYQOGNNPAG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.45
Rot. Bonds7

About 2-ethoxy-2-propylpentanoic acid

2-ethoxy-2-propylpentanoic acid (PubChem CID 78969603) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethoxy-2-propylpentanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-propylpentanoic acid
PubChem CID78969603
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-ethoxy-2-propylpentanoic acid
SMILESCCCC(CCC)(OCC)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-7-10(8-5-2,9(11)12)13-6-3/h4-8H2,1-3H3,(H,11,12)
InChIKeyFSJXWYQOGNNPAG-UHFFFAOYSA-N
XLogP2.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
2-butoxy-2-propylpentanoic acid
CID 114989192
2-(2-methylpropoxy)-2-propylpentanoic acid
CID 114989176
2-(3-methoxypropoxy)-2-propylpentanoic acid
CID 114993502
2-[(2-methylpropan-2-yl)oxy]-2-propylpentanoic acid
CID 114989189
2-ethoxy-2-(2-phenoxyethyl)nonanoic acid
CID 151537515
2-acetyloxy-2-propyloctanoic acid
CID 175290994
2-(hydroperoxymethyl)-2-propylpentanoic acid
CID 89126007
2,2-dichloro-2-ethoxyacetic acid
CID 87516880
2-ethoxy-2-methylnonanoic acid
CID 78969453
2,2-diethoxy-3-methoxycarbonyl-3-silylhexanoic acid
CID 174618110
2-(3-carboxypentan-3-ylperoxy)-2-ethylbutanoic acid
CID 141153642

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-propylpentanoic acid?
The IUPAC name of 2-ethoxy-2-propylpentanoic acid (CID 78969603) is 2-ethoxy-2-propylpentanoic acid.
What is the SMILES notation for 2-ethoxy-2-propylpentanoic acid?
The canonical SMILES for 2-ethoxy-2-propylpentanoic acid is CCCC(CCC)(OCC)C(=O)O.
What is the InChIKey of 2-ethoxy-2-propylpentanoic acid?
The InChIKey is FSJXWYQOGNNPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-7-10(8-5-2,9(11)12)13-6-3/h4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-ethoxy-2-propylpentanoic acid?
2-ethoxy-2-propylpentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-propylpentanoic acid is sourced from PubChem (CID 78969603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).