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

C14H26O3 — CID 14377094

IUPAC2-(5-octyloxolan-2-yl)acetic acid
SMILESCCCCCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-12-9-10-13(17-12)11-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyJQXAPIPFJSWGIC-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.76
Rot. Bonds9

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

2-(5-octyloxolan-2-yl)acetic acid (PubChem CID 14377094) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(5-octyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-octyloxolan-2-yl)acetic acid
PubChem CID14377094
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name2-(5-octyloxolan-2-yl)acetic acid
SMILESCCCCCCCCC1CCC(CC(=O)O)O1
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-12-9-10-13(17-12)11-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
InChIKeyJQXAPIPFJSWGIC-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.76
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

Gamma-Decalactone
CID 12813
Gamma-Nonalactone
CID 7710
Gamma-undecalactone
CID 7714
Gamma-Dodecalactone
CID 16821
(R)-3-hydroxytetradecanoic acid
CID 5288266
(+-)-3-Hydroxydodecanoic acid
CID 94216
(3S)-3-hydroxyoctanoic acid
CID 11367166
3-Hydroxydecanoic acid, (3S)-
CID 5312799
Ethyl 3-hydroxyhexanoate
CID 61293
3-Hydroxydecanoic acid
CID 26612
(+-)-3-Hydroxytetradecanoic acid
CID 16064
Ethyl 3-hydroxyoctanoate
CID 110975

Frequently Asked Questions

What is the IUPAC name of 2-(5-octyloxolan-2-yl)acetic acid?
The IUPAC name of 2-(5-octyloxolan-2-yl)acetic acid (CID 14377094) is 2-(5-octyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(5-octyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-(5-octyloxolan-2-yl)acetic acid is CCCCCCCCC1CCC(CC(=O)O)O1.
What is the InChIKey of 2-(5-octyloxolan-2-yl)acetic acid?
The InChIKey is JQXAPIPFJSWGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-12-9-10-13(17-12)11-14(15)16/h12-13H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-(5-octyloxolan-2-yl)acetic acid?
2-(5-octyloxolan-2-yl)acetic acid has a molecular weight of 242.36 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-octyloxolan-2-yl)acetic acid is sourced from PubChem (CID 14377094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).