(E)-11-(oxan-2-yloxy)undec-2-enal

C16H28O3 — CID 10978478

IUPAC(E)-11-(oxan-2-yloxy)undec-2-enal
SMILESO=C/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,13,16H,1-5,7-8,10-12,14-15H2/b9-6+
InChIKeyVBYKOMMOQDIZRK-RMKNXTFCSA-N
MW268.40 g/mol
LogP4.02
Rot. Bonds11

About (E)-11-(oxan-2-yloxy)undec-2-enal

(E)-11-(oxan-2-yloxy)undec-2-enal (PubChem CID 10978478) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (E)-11-(oxan-2-yloxy)undec-2-enal.

Molecular Properties

Compound Name(E)-11-(oxan-2-yloxy)undec-2-enal
PubChem CID10978478
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(E)-11-(oxan-2-yloxy)undec-2-enal
SMILESO=C/C=C/CCCCCCCCOC1CCCCO1
InChIInChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,13,16H,1-5,7-8,10-12,14-15H2/b9-6+
InChIKeyVBYKOMMOQDIZRK-RMKNXTFCSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.02
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
(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
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
(Z)-11-(oxan-2-yloxy)undec-4-enal
CID 14057669
9-(Oxan-2-yloxy)non-2-enal
CID 54087230
7-[(Oxan-2-yl)oxy]hept-2-enal
CID 54196488
5-(Oxan-2-yloxy)pent-2-enal
CID 85557822

Frequently Asked Questions

What is the IUPAC name of (E)-11-(oxan-2-yloxy)undec-2-enal?
The IUPAC name of (E)-11-(oxan-2-yloxy)undec-2-enal (CID 10978478) is (E)-11-(oxan-2-yloxy)undec-2-enal.
What is the SMILES notation for (E)-11-(oxan-2-yloxy)undec-2-enal?
The canonical SMILES for (E)-11-(oxan-2-yloxy)undec-2-enal is O=C/C=C/CCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-11-(oxan-2-yloxy)undec-2-enal?
The InChIKey is VBYKOMMOQDIZRK-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h6,9,13,16H,1-5,7-8,10-12,14-15H2/b9-6+.
What are the key properties of (E)-11-(oxan-2-yloxy)undec-2-enal?
(E)-11-(oxan-2-yloxy)undec-2-enal has a molecular weight of 268.40 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-11-(oxan-2-yloxy)undec-2-enal is sourced from PubChem (CID 10978478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).