3-(3-hydroxypropoxy)pentanoic acid

C8H16O4 — CID 114988912

IUPAC3-(3-hydroxypropoxy)pentanoic acid
SMILESCCC(CC(=O)O)OCCCO
InChIInChI=1S/C8H16O4/c1-2-7(6-8(10)11)12-5-3-4-9/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyIUYQTGTVFKPACC-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.64
Rot. Bonds7

About 3-(3-hydroxypropoxy)pentanoic acid

3-(3-hydroxypropoxy)pentanoic acid (PubChem CID 114988912) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-(3-hydroxypropoxy)pentanoic acid.

Molecular Properties

Compound Name3-(3-hydroxypropoxy)pentanoic acid
PubChem CID114988912
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3-(3-hydroxypropoxy)pentanoic acid
SMILESCCC(CC(=O)O)OCCCO
InChIInChI=1S/C8H16O4/c1-2-7(6-8(10)11)12-5-3-4-9/h7,9H,2-6H2,1H3,(H,10,11)
InChIKeyIUYQTGTVFKPACC-UHFFFAOYSA-N
XLogP0.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butan-1-ol;3-methoxypentanoic acid
CID 174606123
3-(3-phenylpropoxy)pentanoic acid
CID 114992417
3-(2-hydroxyethoxy)pentanedioic acid
CID 87839314
[3-carboxy-2-(14-hydroxytetradecoxy)propyl]-trimethylazanium
CID 87185532
1-(3-hydroxypropoxy)propan-1-ol;propanoic acid
CID 71440134
5-methoxy-5-oxo-3-pentoxypentanoic acid
CID 87950220
2-dodecan-3-yloxy-2-(3-hydroxypropoxy)acetic acid
CID 57131175
(3-carboxy-2-tridecoxypropyl)-trimethylazanium
CID 22407177
3-acetyloxypentanoic acid
CID 22152680
2-butoxybutanedioic acid;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87565763
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993438

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropoxy)pentanoic acid?
The IUPAC name of 3-(3-hydroxypropoxy)pentanoic acid (CID 114988912) is 3-(3-hydroxypropoxy)pentanoic acid.
What is the SMILES notation for 3-(3-hydroxypropoxy)pentanoic acid?
The canonical SMILES for 3-(3-hydroxypropoxy)pentanoic acid is CCC(CC(=O)O)OCCCO.
What is the InChIKey of 3-(3-hydroxypropoxy)pentanoic acid?
The InChIKey is IUYQTGTVFKPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-2-7(6-8(10)11)12-5-3-4-9/h7,9H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-(3-hydroxypropoxy)pentanoic acid?
3-(3-hydroxypropoxy)pentanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropoxy)pentanoic acid is sourced from PubChem (CID 114988912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).