(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene

C16H32O — CID 14717304

IUPAC(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene
SMILESC/C=C/CCCCCCCCCOC(C)(C)C
InChIInChI=1S/C16H32O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h5-6H,7-15H2,1-4H3/b6-5+
InChIKeyVAUAANCKDGXFND-AATRIKPKSA-N
MW240.43 g/mol
LogP5.50
Rot. Bonds10

About (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene

(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene (PubChem CID 14717304) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene.

Molecular Properties

Compound Name(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene
PubChem CID14717304
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene
SMILESC/C=C/CCCCCCCCCOC(C)(C)C
InChIInChI=1S/C16H32O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h5-6H,7-15H2,1-4H3/b6-5+
InChIKeyVAUAANCKDGXFND-AATRIKPKSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene?
The IUPAC name of (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene (CID 14717304) is (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene.
What is the SMILES notation for (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene?
The canonical SMILES for (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene is C/C=C/CCCCCCCCCOC(C)(C)C.
What is the InChIKey of (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene?
The InChIKey is VAUAANCKDGXFND-AATRIKPKSA-N. The full InChI is InChI=1S/C16H32O/c1-5-6-7-8-9-10-11-12-13-14-15-17-16(2,3)4/h5-6H,7-15H2,1-4H3/b6-5+.
What are the key properties of (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene?
(E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene has a molecular weight of 240.43 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-[(2-methylpropan-2-yl)oxy]dodec-2-ene is sourced from PubChem (CID 14717304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).