oxan-2-yl (Z)-dodec-10-enoate

C17H30O3 — CID 5367971

IUPACoxan-2-yl (Z)-dodec-10-enoate
SMILESC/C=C\CCCCCCCCC(=O)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-3,17H,4-15H2,1H3/b3-2-
InChIKeyZEMBDJLQWAYNHX-IHWYPQMZSA-N
MW282.42 g/mol
LogP4.75
Rot. Bonds10

About oxan-2-yl (Z)-dodec-10-enoate

oxan-2-yl (Z)-dodec-10-enoate (PubChem CID 5367971) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is oxan-2-yl (Z)-dodec-10-enoate.

Molecular Properties

Compound Nameoxan-2-yl (Z)-dodec-10-enoate
PubChem CID5367971
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nameoxan-2-yl (Z)-dodec-10-enoate
SMILESC/C=C\CCCCCCCCC(=O)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-3,17H,4-15H2,1H3/b3-2-
InChIKeyZEMBDJLQWAYNHX-IHWYPQMZSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl (Z)-dodec-10-enoate?
The IUPAC name of oxan-2-yl (Z)-dodec-10-enoate (CID 5367971) is oxan-2-yl (Z)-dodec-10-enoate.
What is the SMILES notation for oxan-2-yl (Z)-dodec-10-enoate?
The canonical SMILES for oxan-2-yl (Z)-dodec-10-enoate is C/C=C\CCCCCCCCC(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl (Z)-dodec-10-enoate?
The InChIKey is ZEMBDJLQWAYNHX-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-7-8-9-10-13-16(18)20-17-14-11-12-15-19-17/h2-3,17H,4-15H2,1H3/b3-2-.
What are the key properties of oxan-2-yl (Z)-dodec-10-enoate?
oxan-2-yl (Z)-dodec-10-enoate has a molecular weight of 282.42 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl (Z)-dodec-10-enoate is sourced from PubChem (CID 5367971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).