(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol

C15H20O2 — CID 166754770

IUPAC(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
SMILESC=C(O)/C=C\C(=C/C)CC(/C=C\C(=C)O)=C/C
InChIInChI=1S/C15H20O2/c1-5-14(9-7-12(3)16)11-15(6-2)10-8-13(4)17/h5-10,16-17H,3-4,11H2,1-2H3/b9-7-,10-8-,14-5+,15-6+
InChIKeyACOHRYREURIMLO-VYTCKWHNSA-N
MW232.32 g/mol
LogP4.52
Rot. Bonds6

About (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol

(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol (PubChem CID 166754770) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol.

Molecular Properties

Compound Name(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
PubChem CID166754770
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol
SMILESC=C(O)/C=C\C(=C/C)CC(/C=C\C(=C)O)=C/C
InChIInChI=1S/C15H20O2/c1-5-14(9-7-12(3)16)11-15(6-2)10-8-13(4)17/h5-10,16-17H,3-4,11H2,1-2H3/b9-7-,10-8-,14-5+,15-6+
InChIKeyACOHRYREURIMLO-VYTCKWHNSA-N
XLogP4.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol?
The IUPAC name of (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol (CID 166754770) is (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol.
What is the SMILES notation for (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol?
The canonical SMILES for (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol is C=C(O)/C=C\C(=C/C)CC(/C=C\C(=C)O)=C/C.
What is the InChIKey of (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol?
The InChIKey is ACOHRYREURIMLO-VYTCKWHNSA-N. The full InChI is InChI=1S/C15H20O2/c1-5-14(9-7-12(3)16)11-15(6-2)10-8-13(4)17/h5-10,16-17H,3-4,11H2,1-2H3/b9-7-,10-8-,14-5+,15-6+.
What are the key properties of (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol?
(3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol has a molecular weight of 232.32 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z,8Z)-5,7-di(ethylidene)undeca-1,3,8,10-tetraene-2,10-diol is sourced from PubChem (CID 166754770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).