5-(oxolan-3-yl)pentanoic acid

C9H16O3 — CID 142409072

IUPAC5-(oxolan-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCOC1
InChIInChI=1S/C9H16O3/c10-9(11)4-2-1-3-8-5-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeyXHSIUKWADBJYAG-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.67
Rot. Bonds5

About 5-(oxolan-3-yl)pentanoic acid

5-(oxolan-3-yl)pentanoic acid (PubChem CID 142409072) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(oxolan-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(oxolan-3-yl)pentanoic acid
PubChem CID142409072
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(oxolan-3-yl)pentanoic acid
SMILESO=C(O)CCCCC1CCOC1
InChIInChI=1S/C9H16O3/c10-9(11)4-2-1-3-8-5-6-12-7-8/h8H,1-7H2,(H,10,11)
InChIKeyXHSIUKWADBJYAG-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844
ethyl 5-(oxolan-3-yl)pentanoate
CID 142409094
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
CID 54876447
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
8-[2-(oxan-4-yl)ethoxy]octanoic acid
CID 164916304
CID 88999867
CID 88999867
8-cyclobutyloctanoic acid
CID 72551210
5-oxo-8-(oxolan-3-yl)octanal
CID 142212118
3-(5-chloropentyl)oxolane
CID 165447140
19-cyclohexylnonadecanoic acid
CID 71352938
7-cyclohexylheptanoic acid
CID 71560336

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)pentanoic acid?
The IUPAC name of 5-(oxolan-3-yl)pentanoic acid (CID 142409072) is 5-(oxolan-3-yl)pentanoic acid.
What is the SMILES notation for 5-(oxolan-3-yl)pentanoic acid?
The canonical SMILES for 5-(oxolan-3-yl)pentanoic acid is O=C(O)CCCCC1CCOC1.
What is the InChIKey of 5-(oxolan-3-yl)pentanoic acid?
The InChIKey is XHSIUKWADBJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c10-9(11)4-2-1-3-8-5-6-12-7-8/h8H,1-7H2,(H,10,11).
What are the key properties of 5-(oxolan-3-yl)pentanoic acid?
5-(oxolan-3-yl)pentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)pentanoic acid is sourced from PubChem (CID 142409072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).