2-(5-decyloxolan-2-yl)acetic acid

C16H30O3 — CID 14377096

IUPAC2-(5-decyloxolan-2-yl)acetic acid
SMILESCCCCCCCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(19-14)13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyGSJHUAOIBIEDBI-UHFFFAOYSA-N
MW270.41 g/mol
LogP4.54
Rot. Bonds11

About 2-(5-decyloxolan-2-yl)acetic acid

2-(5-decyloxolan-2-yl)acetic acid (PubChem CID 14377096) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is 2-(5-decyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-decyloxolan-2-yl)acetic acid
PubChem CID14377096
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name2-(5-decyloxolan-2-yl)acetic acid
SMILESCCCCCCCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(19-14)13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)
InChIKeyGSJHUAOIBIEDBI-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.54
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

(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
4-[5-(carboxymethyl)oxolan-2-yl]butanoic acid
CID 13220194
[(2S,5R)-5-decyloxolan-2-yl]methanol
CID 42627830
[(2S,5R)-5-heptadecyloxolan-2-yl]methanol
CID 57189033
(5-heptyloxolan-2-yl)methanol
CID 11820121
1-cyclohexyl-2-[(2R,6R)-6-hexyloxan-2-yl]ethanone
CID 101197924
2-methyl-5-octadecyloxolane
CID 167511066
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638
2-[(1R,2R)-2-hexylcyclopropyl]acetic acid
CID 91607184
methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588
(5-tridecyloxolan-2-yl)methyl 5-chloropentanoate
CID 14326609
acetic acid;2-(2-octylcyclopropyl)acetic acid
CID 67849608

Frequently Asked Questions

What is the IUPAC name of 2-(5-decyloxolan-2-yl)acetic acid?
The IUPAC name of 2-(5-decyloxolan-2-yl)acetic acid (CID 14377096) is 2-(5-decyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(5-decyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-(5-decyloxolan-2-yl)acetic acid is CCCCCCCCCCC1CCC(CC(=O)O)O1.
What is the InChIKey of 2-(5-decyloxolan-2-yl)acetic acid?
The InChIKey is GSJHUAOIBIEDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-2-3-4-5-6-7-8-9-10-14-11-12-15(19-14)13-16(17)18/h14-15H,2-13H2,1H3,(H,17,18).
What are the key properties of 2-(5-decyloxolan-2-yl)acetic acid?
2-(5-decyloxolan-2-yl)acetic acid has a molecular weight of 270.41 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-decyloxolan-2-yl)acetic acid is sourced from PubChem (CID 14377096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).