5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid

C10H18O6 — CID 103973534

IUPAC5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
SMILESCCOCC(O)CC(C(=O)O)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-3-15-6-7(11)5-8(9(12)13)10(14)16-4-2/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyFVXSBANSCGYIAX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.04
Rot. Bonds8

About 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid

5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid (PubChem CID 103973534) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid.

Molecular Properties

Compound Name5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
PubChem CID103973534
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid
SMILESCCOCC(O)CC(C(=O)O)C(=O)OCC
InChIInChI=1S/C10H18O6/c1-3-15-6-7(11)5-8(9(12)13)10(14)16-4-2/h7-8,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyFVXSBANSCGYIAX-UHFFFAOYSA-N
XLogP0.04
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(2-hydroxy-3-propan-2-yloxypropyl)propanedioate
CID 112696152
tetraethyl (1,3-13C2)propane-1,1,3,3-tetracarboxylate
CID 76973343
4-hydroxy-5-methoxy-2-methoxycarbonylpentanoic acid
CID 103973372
diethyl 2-(iodomethyl)propanedioate
CID 71339629
6-ethoxy-3-ethyl-5-hydroxyhexan-2-one
CID 79428529
3-[(3-ethoxy-2-hydroxypropyl)-methylamino]-2-methylpropanoic acid
CID 63933197
1-ethoxypentan-2-ol
CID 21201051
1-ethoxy-4-methylhexane-2,5-diol
CID 79423603
ethyl 2-[(3-ethoxy-2-hydroxypropyl)-propylamino]acetate
CID 63932802
(2R)-2-amino-3-(3-ethoxy-2-hydroxypropyl)sulfanyl-3-methylbutanoic acid
CID 106442618
2-(3-ethoxy-2-hydroxypropyl)sulfanylbutanoic acid
CID 105353371
ethyl 2-(ethoxymethyl)pentanoate
CID 140987301

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid?
The IUPAC name of 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid (CID 103973534) is 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid.
What is the SMILES notation for 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid?
The canonical SMILES for 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid is CCOCC(O)CC(C(=O)O)C(=O)OCC.
What is the InChIKey of 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid?
The InChIKey is FVXSBANSCGYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-3-15-6-7(11)5-8(9(12)13)10(14)16-4-2/h7-8,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid?
5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid has a molecular weight of 234.25 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethoxycarbonyl-4-hydroxypentanoic acid is sourced from PubChem (CID 103973534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).