(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol

C13H18O2 — CID 129018550

IUPAC(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol
SMILESCC/C=C(O)\C=C/COC1=CC=CCC1
InChIInChI=1S/C13H18O2/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h3-4,6-9,14H,2,5,10-11H2,1H3/b8-6-,12-7+
InChIKeyFLLQYRVIWDVWAN-LQNKLOEDSA-N
MW206.28 g/mol
LogP3.64
Rot. Bonds5

About (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol

(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol (PubChem CID 129018550) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol
PubChem CID129018550
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol
SMILESCC/C=C(O)\C=C/COC1=CC=CCC1
InChIInChI=1S/C13H18O2/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h3-4,6-9,14H,2,5,10-11H2,1H3/b8-6-,12-7+
InChIKeyFLLQYRVIWDVWAN-LQNKLOEDSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
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 (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol (CID 129018550) is (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol is CC/C=C(O)\C=C/COC1=CC=CCC1.
What is the InChIKey of (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol?
The InChIKey is FLLQYRVIWDVWAN-LQNKLOEDSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-7-12(14)8-6-11-15-13-9-4-3-5-10-13/h3-4,6-9,14H,2,5,10-11H2,1H3/b8-6-,12-7+.
What are the key properties of (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol?
(2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol has a molecular weight of 206.28 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-1-cyclohexa-1,3-dien-1-yloxyhepta-2,4-dien-4-ol is sourced from PubChem (CID 129018550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).