(5Z,8Z)-undeca-1,5,8-triene-3,7-diol

C11H18O2 — CID 121232664

IUPAC(5Z,8Z)-undeca-1,5,8-triene-3,7-diol
SMILESC=CC(O)C/C=C\C(O)/C=C\CC
InChIInChI=1S/C11H18O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-7,9-13H,2-3,8H2,1H3/b7-5-,9-6-
InChIKeyFYXKYWVJJJIYHK-BSIYMUDXSA-N
MW182.26 g/mol
LogP1.81
Rot. Bonds6

About (5Z,8Z)-undeca-1,5,8-triene-3,7-diol

(5Z,8Z)-undeca-1,5,8-triene-3,7-diol (PubChem CID 121232664) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5Z,8Z)-undeca-1,5,8-triene-3,7-diol.

Molecular Properties

Compound Name(5Z,8Z)-undeca-1,5,8-triene-3,7-diol
PubChem CID121232664
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5Z,8Z)-undeca-1,5,8-triene-3,7-diol
SMILESC=CC(O)C/C=C\C(O)/C=C\CC
InChIInChI=1S/C11H18O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-7,9-13H,2-3,8H2,1H3/b7-5-,9-6-
InChIKeyFYXKYWVJJJIYHK-BSIYMUDXSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-undeca-1,5,8-triene-3,7-diol?
The IUPAC name of (5Z,8Z)-undeca-1,5,8-triene-3,7-diol (CID 121232664) is (5Z,8Z)-undeca-1,5,8-triene-3,7-diol.
What is the SMILES notation for (5Z,8Z)-undeca-1,5,8-triene-3,7-diol?
The canonical SMILES for (5Z,8Z)-undeca-1,5,8-triene-3,7-diol is C=CC(O)C/C=C\C(O)/C=C\CC.
What is the InChIKey of (5Z,8Z)-undeca-1,5,8-triene-3,7-diol?
The InChIKey is FYXKYWVJJJIYHK-BSIYMUDXSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-7,9-13H,2-3,8H2,1H3/b7-5-,9-6-.
What are the key properties of (5Z,8Z)-undeca-1,5,8-triene-3,7-diol?
(5Z,8Z)-undeca-1,5,8-triene-3,7-diol has a molecular weight of 182.26 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-undeca-1,5,8-triene-3,7-diol is sourced from PubChem (CID 121232664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).