(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid

C19H34O4 — CID 71244577

IUPAC(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H34O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h10,14,19H,1-9,11-13,15-17H2,(H,20,21)/b14-10+
InChIKeyNSVSBBUJSSPPFG-GXDHUFHOSA-N
MW326.48 g/mol
LogP5.07
Rot. Bonds14

About (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid

(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid (PubChem CID 71244577) has the molecular formula C19H34O4 and a molecular weight of 326.48 g/mol. Its IUPAC name is (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid.

Molecular Properties

Compound Name(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
PubChem CID71244577
Molecular FormulaC19H34O4
Molecular Weight326.48 g/mol
Exact Mass326.25
IUPAC Name(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H34O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h10,14,19H,1-9,11-13,15-17H2,(H,20,21)/b14-10+
InChIKeyNSVSBBUJSSPPFG-GXDHUFHOSA-N
XLogP5.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-8-(oxan-2-yloxy)oct-2-enoate
CID 14937208
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
2-[(E)-11-iodoundec-10-enoxy]oxane
CID 11280429
(E)-17-(oxan-2-yloxy)-N-[(1R,2S)-2-[[(E)-17-(oxan-2-yloxy)heptadec-2-enoyl]amino]cyclopropyl]heptadec-2-enamide
CID 90381690
11-(oxan-2-yloxy)-N-[3-[11-(oxan-2-yloxy)undec-2-enoylamino]cyclopentyl]undec-2-enamide
CID 78045854
18-(oxan-2-yloxy)-N-[(1S,3R)-3-[18-(oxan-2-yloxy)octadec-2-enoylamino]cyclopentyl]octadec-2-enamide
CID 123842235
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
14-(oxan-2-yloxy)tetradecanoic acid
CID 54500619

Frequently Asked Questions

What is the IUPAC name of (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid?
The IUPAC name of (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid (CID 71244577) is (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid.
What is the SMILES notation for (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid?
The canonical SMILES for (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid is O=C(O)/C=C/CCCCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid?
The InChIKey is NSVSBBUJSSPPFG-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H34O4/c20-18(21)14-10-8-6-4-2-1-3-5-7-9-12-16-22-19-15-11-13-17-23-19/h10,14,19H,1-9,11-13,15-17H2,(H,20,21)/b14-10+.
What are the key properties of (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid?
(E)-14-(oxan-2-yloxy)tetradec-2-enoic acid has a molecular weight of 326.48 g/mol, XLogP of 5.07, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14-(oxan-2-yloxy)tetradec-2-enoic acid is sourced from PubChem (CID 71244577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).