2-oxo-5-pentyloxolane-3-carboxylic acid

C10H16O4 — CID 131751115

IUPAC2-oxo-5-pentyloxolane-3-carboxylic acid
SMILESCCCCCC1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C10H16O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRXLCOVRNIXYZMX-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds5

About 2-oxo-5-pentyloxolane-3-carboxylic acid

2-oxo-5-pentyloxolane-3-carboxylic acid (PubChem CID 131751115) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-oxo-5-pentyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-pentyloxolane-3-carboxylic acid
PubChem CID131751115
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-oxo-5-pentyloxolane-3-carboxylic acid
SMILESCCCCCC1CC(C(=O)O)C(=O)O1
InChIInChI=1S/C10H16O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyRXLCOVRNIXYZMX-UHFFFAOYSA-N
XLogP1.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hexyl-3-hydroxyoxolan-2-one
CID 14303265
N-cyclohexyl-5-heptyl-2-oxooxolane-3-carboxamide
CID 135072463
(3R,4R)-3,4-dihydroxy-6-nonyloxan-2-one
CID 162965017
3-chloro-5-octyloxolan-2-one
CID 3017732
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
3-hexyl-4-hydroxy-6-undecyloxan-2-one
CID 10665857
(5S)-5-(acetyloxymethyl)-2-oxooxolane-3-carboxylic acid
CID 10856544
methyl 2-oxo-5-propyloxolane-3-carboxylate
CID 23093354
[(3R,4R,6S)-3-hexyl-2-oxo-6-undecyloxan-4-yl] acetate
CID 11090576
(3S,5S)-3-phenyl-5-tridecyloxolan-2-one
CID 10860874
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-pentyloxolane-3-carboxylic acid?
The IUPAC name of 2-oxo-5-pentyloxolane-3-carboxylic acid (CID 131751115) is 2-oxo-5-pentyloxolane-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5-pentyloxolane-3-carboxylic acid?
The canonical SMILES for 2-oxo-5-pentyloxolane-3-carboxylic acid is CCCCCC1CC(C(=O)O)C(=O)O1.
What is the InChIKey of 2-oxo-5-pentyloxolane-3-carboxylic acid?
The InChIKey is RXLCOVRNIXYZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-7-6-8(9(11)12)10(13)14-7/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-oxo-5-pentyloxolane-3-carboxylic acid?
2-oxo-5-pentyloxolane-3-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-pentyloxolane-3-carboxylic acid is sourced from PubChem (CID 131751115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).