(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol

C11H18O3 — CID 11458281

IUPAC(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol
SMILESOC/C=C/C=C\COC1CCCCO1
InChIInChI=1S/C11H18O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,4-5,11-12H,3,6-10H2/b4-1+,5-2-
InChIKeyXBJANOUWUZIGDB-IKENXXAYSA-N
MW198.26 g/mol
LogP1.63
Rot. Bonds5

About (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol

(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol (PubChem CID 11458281) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol
PubChem CID11458281
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol
SMILESOC/C=C/C=C\COC1CCCCO1
InChIInChI=1S/C11H18O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,4-5,11-12H,3,6-10H2/b4-1+,5-2-
InChIKeyXBJANOUWUZIGDB-IKENXXAYSA-N
XLogP1.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol (CID 11458281) is (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol is OC/C=C/C=C\COC1CCCCO1.
What is the InChIKey of (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol?
The InChIKey is XBJANOUWUZIGDB-IKENXXAYSA-N. The full InChI is InChI=1S/C11H18O3/c12-8-4-1-2-5-9-13-11-7-3-6-10-14-11/h1-2,4-5,11-12H,3,6-10H2/b4-1+,5-2-.
What are the key properties of (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol?
(2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol has a molecular weight of 198.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-(oxan-2-yloxy)hexa-2,4-dien-1-ol is sourced from PubChem (CID 11458281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).