2-(1-ethoxypropan-2-yl)pentanoic acid

C10H20O3 — CID 172824174

IUPAC2-(1-ethoxypropan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C(C)COCC
InChIInChI=1S/C10H20O3/c1-4-6-9(10(11)12)8(3)7-13-5-2/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyUQBUJISIDCKSSR-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.16
Rot. Bonds7

About 2-(1-ethoxypropan-2-yl)pentanoic acid

2-(1-ethoxypropan-2-yl)pentanoic acid (PubChem CID 172824174) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yl)pentanoic acid
PubChem CID172824174
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(1-ethoxypropan-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)C(C)COCC
InChIInChI=1S/C10H20O3/c1-4-6-9(10(11)12)8(3)7-13-5-2/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyUQBUJISIDCKSSR-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-propylpentanoic acid
CID 54305821
ethane;2-propan-2-ylpentanoic acid
CID 175540570
16-methoxycarbonyl-5,9,13,17-tetramethyloctadecane-3,7,11-tricarboxylic acid
CID 175111700
(2R)-pentane-1,1,2-tricarboxylic acid
CID 54153831
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
2-butan-2-ylpentadecanoic acid
CID 87442316
1-ethoxypentan-2-yl hydrogen carbonate
CID 139923305
fermium;(2R,3S)-3-methoxycarbonyl-2-(2-methylpropyl)hexanoic acid
CID 59060134
bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate
CID 141062839
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301
3-pentan-3-yloxycarbonyl-2-propylhexanoic acid
CID 131966080
methane;2-(1-oxo-1-propoxypropan-2-yl)pentanoic acid
CID 160908487

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yl)pentanoic acid?
The IUPAC name of 2-(1-ethoxypropan-2-yl)pentanoic acid (CID 172824174) is 2-(1-ethoxypropan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(1-ethoxypropan-2-yl)pentanoic acid?
The canonical SMILES for 2-(1-ethoxypropan-2-yl)pentanoic acid is CCCC(C(=O)O)C(C)COCC.
What is the InChIKey of 2-(1-ethoxypropan-2-yl)pentanoic acid?
The InChIKey is UQBUJISIDCKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-6-9(10(11)12)8(3)7-13-5-2/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-(1-ethoxypropan-2-yl)pentanoic acid?
2-(1-ethoxypropan-2-yl)pentanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yl)pentanoic acid is sourced from PubChem (CID 172824174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).