(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol

C15H30O3 — CID 131839667

IUPAC(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol
SMILESCC/C=C/CCCCCCCCOC[C@H](O)CO
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-4,15-17H,2,5-14H2,1H3/b4-3+/t15-/m1/s1
InChIKeyPIRCOAFKOXOPDT-NHZBNJEXSA-N
MW258.40 g/mol
LogP3.05
Rot. Bonds13

About (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol

(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol (PubChem CID 131839667) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol
PubChem CID131839667
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol
SMILESCC/C=C/CCCCCCCCOC[C@H](O)CO
InChIInChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-4,15-17H,2,5-14H2,1H3/b4-3+/t15-/m1/s1
InChIKeyPIRCOAFKOXOPDT-NHZBNJEXSA-N
XLogP3.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.05
H-Bond Donors ≤ 52
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 (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol?
The IUPAC name of (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol (CID 131839667) is (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol is CC/C=C/CCCCCCCCOC[C@H](O)CO.
What is the InChIKey of (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol?
The InChIKey is PIRCOAFKOXOPDT-NHZBNJEXSA-N. The full InChI is InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17)13-16/h3-4,15-17H,2,5-14H2,1H3/b4-3+/t15-/m1/s1.
What are the key properties of (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol?
(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol has a molecular weight of 258.40 g/mol, XLogP of 3.05, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol is sourced from PubChem (CID 131839667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).