(E)-dodec-3-ene-1,2,12-triol

C12H24O3 — CID 135050631

IUPAC(E)-dodec-3-ene-1,2,12-triol
SMILESOCCCCCCCC/C=C/C(O)CO
InChIInChI=1S/C12H24O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h7,9,12-15H,1-6,8,10-11H2/b9-7+
InChIKeyACXFXFMWJWLOCE-VQHVLOKHSA-N
MW216.32 g/mol
LogP1.62
Rot. Bonds10

About (E)-dodec-3-ene-1,2,12-triol

(E)-dodec-3-ene-1,2,12-triol (PubChem CID 135050631) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (E)-dodec-3-ene-1,2,12-triol.

Molecular Properties

Compound Name(E)-dodec-3-ene-1,2,12-triol
PubChem CID135050631
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(E)-dodec-3-ene-1,2,12-triol
SMILESOCCCCCCCC/C=C/C(O)CO
InChIInChI=1S/C12H24O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h7,9,12-15H,1-6,8,10-11H2/b9-7+
InChIKeyACXFXFMWJWLOCE-VQHVLOKHSA-N
XLogP1.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.62
H-Bond Donors ≤ 53
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 (E)-dodec-3-ene-1,2,12-triol?
The IUPAC name of (E)-dodec-3-ene-1,2,12-triol (CID 135050631) is (E)-dodec-3-ene-1,2,12-triol.
What is the SMILES notation for (E)-dodec-3-ene-1,2,12-triol?
The canonical SMILES for (E)-dodec-3-ene-1,2,12-triol is OCCCCCCCC/C=C/C(O)CO.
What is the InChIKey of (E)-dodec-3-ene-1,2,12-triol?
The InChIKey is ACXFXFMWJWLOCE-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H24O3/c13-10-8-6-4-2-1-3-5-7-9-12(15)11-14/h7,9,12-15H,1-6,8,10-11H2/b9-7+.
What are the key properties of (E)-dodec-3-ene-1,2,12-triol?
(E)-dodec-3-ene-1,2,12-triol has a molecular weight of 216.32 g/mol, XLogP of 1.62, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-3-ene-1,2,12-triol is sourced from PubChem (CID 135050631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).