14-(oxan-2-yloxy)tetradecanoic acid

C19H36O4 — CID 54500619

IUPAC14-(oxan-2-yloxy)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h19H,1-17H2,(H,20,21)
InChIKeyYCDLAACOWDVLBA-UHFFFAOYSA-N
MW328.49 g/mol
LogP5.30
Rot. Bonds15

About 14-(oxan-2-yloxy)tetradecanoic acid

14-(oxan-2-yloxy)tetradecanoic acid (PubChem CID 54500619) has the molecular formula C19H36O4 and a molecular weight of 328.49 g/mol. Its IUPAC name is 14-(oxan-2-yloxy)tetradecanoic acid.

Molecular Properties

Compound Name14-(oxan-2-yloxy)tetradecanoic acid
PubChem CID54500619
Molecular FormulaC19H36O4
Molecular Weight328.49 g/mol
Exact Mass328.26
IUPAC Name14-(oxan-2-yloxy)tetradecanoic acid
SMILESO=C(O)CCCCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h19H,1-17H2,(H,20,21)
InChIKeyYCDLAACOWDVLBA-UHFFFAOYSA-N
XLogP5.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.49
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
5-[3-(oxan-2-yloxy)propoxy]-5-oxopentanoic acid
CID 175881612
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
9-[(2R)-oxan-2-yl]oxynon-7-ynoic acid
CID 94037813
(Z)-9-(oxan-2-yloxy)non-7-enoic acid
CID 71310420
[7-(oxan-2-yloxy)-2-oxoheptyl]phosphonic acid
CID 70606312
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
CID 71244577
2-(12-bromododecoxy)oxane
CID 11078592
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-(18-iodooctadecoxy)oxane
CID 86124950

Frequently Asked Questions

What is the IUPAC name of 14-(oxan-2-yloxy)tetradecanoic acid?
The IUPAC name of 14-(oxan-2-yloxy)tetradecanoic acid (CID 54500619) is 14-(oxan-2-yloxy)tetradecanoic acid.
What is the SMILES notation for 14-(oxan-2-yloxy)tetradecanoic acid?
The canonical SMILES for 14-(oxan-2-yloxy)tetradecanoic acid is O=C(O)CCCCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 14-(oxan-2-yloxy)tetradecanoic acid?
The InChIKey is YCDLAACOWDVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h19H,1-17H2,(H,20,21).
What are the key properties of 14-(oxan-2-yloxy)tetradecanoic acid?
14-(oxan-2-yloxy)tetradecanoic acid has a molecular weight of 328.49 g/mol, XLogP of 5.30, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(oxan-2-yloxy)tetradecanoic acid is sourced from PubChem (CID 54500619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).