3-(oxan-2-yloxy)tetradec-2-enal

C19H34O3 — CID 173358094

IUPAC3-(oxan-2-yloxy)tetradec-2-enal
SMILESCCCCCCCCCCCC(=CC=O)OC1CCCCO1
InChIInChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h15-16,19H,2-14,17H2,1H3
InChIKeyYVNKECBVXJSDCA-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.53
Rot. Bonds13

About 3-(oxan-2-yloxy)tetradec-2-enal

3-(oxan-2-yloxy)tetradec-2-enal (PubChem CID 173358094) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is 3-(oxan-2-yloxy)tetradec-2-enal.

Molecular Properties

Compound Name3-(oxan-2-yloxy)tetradec-2-enal
PubChem CID173358094
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name3-(oxan-2-yloxy)tetradec-2-enal
SMILESCCCCCCCCCCCC(=CC=O)OC1CCCCO1
InChIInChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h15-16,19H,2-14,17H2,1H3
InChIKeyYVNKECBVXJSDCA-UHFFFAOYSA-N
XLogP5.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

oxan-2-yl octanoate
CID 23405562
2-(1-iodonon-2-en-2-yloxy)oxane
CID 57013558
oxan-2-yl butanoate
CID 14932559
N-(oxan-2-yloxy)hexanamide
CID 142707517
2-octacosoxyoxane
CID 11214102
1-(oxan-2-yl)nonan-1-one
CID 114966896
(Z)-2-[(E)-5-cyclopentylpent-3-enyl]-3-(oxan-2-yloxy)dec-3-enoic acid
CID 22801306
oxolan-2-yl 2-hexadecyl-3,4-dioxoicosanoate
CID 139647454
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
(Z)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
7-[(1R,2S)-2-octylcyclopentyl]-1-(oxan-2-yloxy)hepta-1,3-dien-1-ol
CID 154152557

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxy)tetradec-2-enal?
The IUPAC name of 3-(oxan-2-yloxy)tetradec-2-enal (CID 173358094) is 3-(oxan-2-yloxy)tetradec-2-enal.
What is the SMILES notation for 3-(oxan-2-yloxy)tetradec-2-enal?
The canonical SMILES for 3-(oxan-2-yloxy)tetradec-2-enal is CCCCCCCCCCCC(=CC=O)OC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxy)tetradec-2-enal?
The InChIKey is YVNKECBVXJSDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-13-18(15-16-20)22-19-14-11-12-17-21-19/h15-16,19H,2-14,17H2,1H3.
What are the key properties of 3-(oxan-2-yloxy)tetradec-2-enal?
3-(oxan-2-yloxy)tetradec-2-enal has a molecular weight of 310.48 g/mol, XLogP of 5.53, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxy)tetradec-2-enal is sourced from PubChem (CID 173358094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).