4-(1-ethoxypropan-2-yloxy)pentanoic acid

C10H20O4 — CID 103486244

IUPAC4-(1-ethoxypropan-2-yloxy)pentanoic acid
SMILESCCOCC(C)OC(C)CCC(=O)O
InChIInChI=1S/C10H20O4/c1-4-13-7-9(3)14-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyPVPAANMEPWOCCC-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.68
Rot. Bonds8

About 4-(1-ethoxypropan-2-yloxy)pentanoic acid

4-(1-ethoxypropan-2-yloxy)pentanoic acid (PubChem CID 103486244) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)pentanoic acid.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)pentanoic acid
PubChem CID103486244
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-(1-ethoxypropan-2-yloxy)pentanoic acid
SMILESCCOCC(C)OC(C)CCC(=O)O
InChIInChI=1S/C10H20O4/c1-4-13-7-9(3)14-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)
InChIKeyPVPAANMEPWOCCC-UHFFFAOYSA-N
XLogP1.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethoxypropan-2-yloxy)butanoic acid
CID 103486155
(4S)-5-ethoxy-4-(2-oxobutanoylamino)pentanoic acid
CID 59347081
4-acetyloxypentanoic acid
CID 14737198
(3S)-4-ethoxy-3-methylbutanoic acid
CID 59960254
4-(1-ethoxypropan-2-yloxy)-N-propan-2-ylpentan-1-amine
CID 103490667
4-(1-ethoxypropan-2-yloxy)-N-propylpentan-1-amine
CID 103490666
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
2-(1-ethoxypropan-2-yloxy)-3-methylbutanehydrazide
CID 103490902
4-(2-butoxyethoxy)pentanoic acid
CID 62213441
4-pentan-2-yloxyhex-5-ynoic acid
CID 57206442
4-(2-methoxyethoxy)pentanoic acid
CID 62215225
1-ethoxypropan-2-yl 5-amino-4-methylpentanoate
CID 103488924

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)pentanoic acid?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)pentanoic acid (CID 103486244) is 4-(1-ethoxypropan-2-yloxy)pentanoic acid.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)pentanoic acid?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)pentanoic acid is CCOCC(C)OC(C)CCC(=O)O.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)pentanoic acid?
The InChIKey is PVPAANMEPWOCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-4-13-7-9(3)14-8(2)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 4-(1-ethoxypropan-2-yloxy)pentanoic acid?
4-(1-ethoxypropan-2-yloxy)pentanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)pentanoic acid is sourced from PubChem (CID 103486244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).