(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol

C16H32O3 — CID 23352208

IUPAC(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol
SMILESC/C=C/C(O)CCCCCCCCOC(C)OCC
InChIInChI=1S/C16H32O3/c1-4-12-16(17)13-10-8-6-7-9-11-14-19-15(3)18-5-2/h4,12,15-17H,5-11,13-14H2,1-3H3/b12-4+
InChIKeyRLZVNQZUWQWEMS-UUILKARUSA-N
MW272.43 g/mol
LogP4.05
Rot. Bonds13

About (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol

(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol (PubChem CID 23352208) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol.

Molecular Properties

Compound Name(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol
PubChem CID23352208
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol
SMILESC/C=C/C(O)CCCCCCCCOC(C)OCC
InChIInChI=1S/C16H32O3/c1-4-12-16(17)13-10-8-6-7-9-11-14-19-15(3)18-5-2/h4,12,15-17H,5-11,13-14H2,1-3H3/b12-4+
InChIKeyRLZVNQZUWQWEMS-UUILKARUSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol?
The IUPAC name of (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol (CID 23352208) is (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol.
What is the SMILES notation for (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol?
The canonical SMILES for (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol is C/C=C/C(O)CCCCCCCCOC(C)OCC.
What is the InChIKey of (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol?
The InChIKey is RLZVNQZUWQWEMS-UUILKARUSA-N. The full InChI is InChI=1S/C16H32O3/c1-4-12-16(17)13-10-8-6-7-9-11-14-19-15(3)18-5-2/h4,12,15-17H,5-11,13-14H2,1-3H3/b12-4+.
What are the key properties of (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol?
(E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol has a molecular weight of 272.43 g/mol, XLogP of 4.05, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-(1-ethoxyethoxy)dodec-2-en-4-ol is sourced from PubChem (CID 23352208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).