[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane

C14H22O — CID 89174398

IUPAC[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
SMILESC=C/C=C\C=C/CCOC1CCCCC1
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-6,14H,1,7-13H2/b4-3-,6-5-
InChIKeySWGKQLPHYGNZTK-OUPQRBNQSA-N
MW206.33 g/mol
LogP4.02
Rot. Bonds6

About [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane

[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane (PubChem CID 89174398) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane.

Molecular Properties

Compound Name[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
PubChem CID89174398
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
SMILESC=C/C=C\C=C/CCOC1CCCCC1
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-6,14H,1,7-13H2/b4-3-,6-5-
InChIKeySWGKQLPHYGNZTK-OUPQRBNQSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane?
The IUPAC name of [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane (CID 89174398) is [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane.
What is the SMILES notation for [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane?
The canonical SMILES for [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane is C=C/C=C\C=C/CCOC1CCCCC1.
What is the InChIKey of [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane?
The InChIKey is SWGKQLPHYGNZTK-OUPQRBNQSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2-6,14H,1,7-13H2/b4-3-,6-5-.
What are the key properties of [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane?
[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane has a molecular weight of 206.33 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane is sourced from PubChem (CID 89174398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).