(E)-12-(oxan-2-yloxy)dodec-2-enal

C17H30O3 — CID 13456332

IUPAC(E)-12-(oxan-2-yloxy)dodec-2-enal
SMILESO=C/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h7,10,14,17H,1-6,8-9,11-13,15-16H2/b10-7+
InChIKeyROUJMVMDARBQKM-JXMROGBWSA-N
MW282.42 g/mol
LogP4.41
Rot. Bonds12

About (E)-12-(oxan-2-yloxy)dodec-2-enal

(E)-12-(oxan-2-yloxy)dodec-2-enal (PubChem CID 13456332) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (E)-12-(oxan-2-yloxy)dodec-2-enal.

Molecular Properties

Compound Name(E)-12-(oxan-2-yloxy)dodec-2-enal
PubChem CID13456332
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(E)-12-(oxan-2-yloxy)dodec-2-enal
SMILESO=C/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h7,10,14,17H,1-6,8-9,11-13,15-16H2/b10-7+
InChIKeyROUJMVMDARBQKM-JXMROGBWSA-N
XLogP4.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.41
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)-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)-12-(oxan-2-yloxy)dodec-2-enal?
The IUPAC name of (E)-12-(oxan-2-yloxy)dodec-2-enal (CID 13456332) is (E)-12-(oxan-2-yloxy)dodec-2-enal.
What is the SMILES notation for (E)-12-(oxan-2-yloxy)dodec-2-enal?
The canonical SMILES for (E)-12-(oxan-2-yloxy)dodec-2-enal is O=C/C=C/CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-12-(oxan-2-yloxy)dodec-2-enal?
The InChIKey is ROUJMVMDARBQKM-JXMROGBWSA-N. The full InChI is InChI=1S/C17H30O3/c18-14-10-7-5-3-1-2-4-6-8-11-15-19-17-13-9-12-16-20-17/h7,10,14,17H,1-6,8-9,11-13,15-16H2/b10-7+.
What are the key properties of (E)-12-(oxan-2-yloxy)dodec-2-enal?
(E)-12-(oxan-2-yloxy)dodec-2-enal has a molecular weight of 282.42 g/mol, XLogP of 4.41, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-(oxan-2-yloxy)dodec-2-enal is sourced from PubChem (CID 13456332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).