9-(oxan-2-yloxy)non-2-enal

C14H24O3 — CID 54087230

IUPAC9-(oxan-2-yloxy)non-2-enal
SMILESO=CC=CCCCCCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h4,7,11,14H,1-3,5-6,8-10,12-13H2
InChIKeyMRIHASAKHAKHNG-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds9

About 9-(oxan-2-yloxy)non-2-enal

9-(oxan-2-yloxy)non-2-enal (PubChem CID 54087230) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)non-2-enal.

Molecular Properties

Compound Name9-(oxan-2-yloxy)non-2-enal
PubChem CID54087230
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name9-(oxan-2-yloxy)non-2-enal
SMILESO=CC=CCCCCCCOC1CCCCO1
InChIInChI=1S/C14H24O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h4,7,11,14H,1-3,5-6,8-10,12-13H2
InChIKeyMRIHASAKHAKHNG-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

(e)-7-Tetrahydropyranyloxy-2-heptenal
CID 14679963
(2e)-11-(Tetrahydropyran-2-yloxy)-2-undecenal
CID 10978478
(e)-12-[(Tetrahydro-2h-pyran-2-yl)oxy]-2-dodecenal
CID 13456332
(e)-9-Tetrahydropyranyloxy-2-nonenal
CID 12963309
(E)-6-(oxan-2-yloxy)hex-2-enal
CID 13596676
2-[(E)-dec-7-enoxy]oxane
CID 15881944
6-[(Oxan-2-yl)oxy]hex-2-enal
CID 53823922
(e)-9-(1-Ethoxyethoxy)-2-nonenal
CID 129776043
(E)-13-(oxan-2-yloxy)tridec-3-enal
CID 11437929
(Z)-6-(oxan-2-yloxy)hex-2-enal
CID 13596677
(E)-4-[(2-Tetrahydropyranyl)oxy]-2-nonenal
CID 145926970
(Z)-11-(oxan-2-yloxy)undec-4-enal
CID 14057669

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yloxy)non-2-enal?
The IUPAC name of 9-(oxan-2-yloxy)non-2-enal (CID 54087230) is 9-(oxan-2-yloxy)non-2-enal.
What is the SMILES notation for 9-(oxan-2-yloxy)non-2-enal?
The canonical SMILES for 9-(oxan-2-yloxy)non-2-enal is O=CC=CCCCCCCOC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)non-2-enal?
The InChIKey is MRIHASAKHAKHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h4,7,11,14H,1-3,5-6,8-10,12-13H2.
What are the key properties of 9-(oxan-2-yloxy)non-2-enal?
9-(oxan-2-yloxy)non-2-enal has a molecular weight of 240.34 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yloxy)non-2-enal is sourced from PubChem (CID 54087230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).