(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol

C11H18O2 — CID 156581779

IUPAC(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
SMILESC=C/C=C/C[C@@H](O)C/C=C/CCO
InChIInChI=1S/C11H18O2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h2-6,11-13H,1,7-10H2/b5-3+,6-4+/t11-/m1/s1
InChIKeyQALVOPBPSAOURX-RHHOKCBPSA-N
MW182.26 g/mol
LogP1.81
Rot. Bonds7

About (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol

(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol (PubChem CID 156581779) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol.

Molecular Properties

Compound Name(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
PubChem CID156581779
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol
SMILESC=C/C=C/C[C@@H](O)C/C=C/CCO
InChIInChI=1S/C11H18O2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h2-6,11-13H,1,7-10H2/b5-3+,6-4+/t11-/m1/s1
InChIKeyQALVOPBPSAOURX-RHHOKCBPSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol?
The IUPAC name of (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol (CID 156581779) is (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol.
What is the SMILES notation for (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol?
The canonical SMILES for (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol is C=C/C=C/C[C@@H](O)C/C=C/CCO.
What is the InChIKey of (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol?
The InChIKey is QALVOPBPSAOURX-RHHOKCBPSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-5-8-11(13)9-6-4-7-10-12/h2-6,11-13H,1,7-10H2/b5-3+,6-4+/t11-/m1/s1.
What are the key properties of (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol?
(3E,6S,8E)-undeca-3,8,10-triene-1,6-diol has a molecular weight of 182.26 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6S,8E)-undeca-3,8,10-triene-1,6-diol is sourced from PubChem (CID 156581779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).