[(2E)-octa-2,7-dienoxy]cyclohexane

C14H24O — CID 13315678

IUPAC[(2E)-octa-2,7-dienoxy]cyclohexane
SMILESC=CCCC/C=C/COC1CCCCC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,6,10,14H,1,3-5,7-9,11-13H2/b10-6+
InChIKeyZRIWIPKGUNOKHP-UXBLZVDNSA-N
MW208.34 g/mol
LogP4.25
Rot. Bonds7

About [(2E)-octa-2,7-dienoxy]cyclohexane

[(2E)-octa-2,7-dienoxy]cyclohexane (PubChem CID 13315678) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is [(2E)-octa-2,7-dienoxy]cyclohexane.

Molecular Properties

Compound Name[(2E)-octa-2,7-dienoxy]cyclohexane
PubChem CID13315678
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name[(2E)-octa-2,7-dienoxy]cyclohexane
SMILESC=CCCC/C=C/COC1CCCCC1
InChIInChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,6,10,14H,1,3-5,7-9,11-13H2/b10-6+
InChIKeyZRIWIPKGUNOKHP-UXBLZVDNSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-octa-2,7-dienoxy]cyclohexane?
The IUPAC name of [(2E)-octa-2,7-dienoxy]cyclohexane (CID 13315678) is [(2E)-octa-2,7-dienoxy]cyclohexane.
What is the SMILES notation for [(2E)-octa-2,7-dienoxy]cyclohexane?
The canonical SMILES for [(2E)-octa-2,7-dienoxy]cyclohexane is C=CCCC/C=C/COC1CCCCC1.
What is the InChIKey of [(2E)-octa-2,7-dienoxy]cyclohexane?
The InChIKey is ZRIWIPKGUNOKHP-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h2,6,10,14H,1,3-5,7-9,11-13H2/b10-6+.
What are the key properties of [(2E)-octa-2,7-dienoxy]cyclohexane?
[(2E)-octa-2,7-dienoxy]cyclohexane has a molecular weight of 208.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-octa-2,7-dienoxy]cyclohexane is sourced from PubChem (CID 13315678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).