2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane

C19H34O2 — CID 24972525

IUPAC2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/C1CCCCC1)OC1CCCCO1
InChIInChI=1S/C19H34O2/c1-2-3-5-12-18(21-19-13-8-9-16-20-19)15-14-17-10-6-4-7-11-17/h14-15,17-19H,2-13,16H2,1H3/b15-14+
InChIKeyZCKQQXUNDXUKAH-CCEZHUSRSA-N
MW294.48 g/mol
LogP5.61
Rot. Bonds8

About 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane

2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane (PubChem CID 24972525) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane.

Molecular Properties

Compound Name2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane
PubChem CID24972525
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane
SMILESCCCCCC(/C=C/C1CCCCC1)OC1CCCCO1
InChIInChI=1S/C19H34O2/c1-2-3-5-12-18(21-19-13-8-9-16-20-19)15-14-17-10-6-4-7-11-17/h14-15,17-19H,2-13,16H2,1H3/b15-14+
InChIKeyZCKQQXUNDXUKAH-CCEZHUSRSA-N
XLogP5.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116735
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
CID 134849756
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
(3R,4R)-4-(oxan-2-yloxy)-3-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopenten-1-olate
CID 135046135
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
Silane, (1,1-dimethylethyl)dimethyl((2-(5-((tetrahydro-2H-pyran-2-yl)oxy)-3-pentenyl)cyclohexyl)oxy)-, (1alpha,2beta(E))-
CID 6442587
Cyclohexanol, 2-(5-((tetrahydro-2H-pyrn-2-yl)oxy)-3-pentenyl)-, (1alpha,2beta(E))-
CID 6442588
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572
2-{[(2Z)-2-(2-methylpropylidene)cyclohexyl]oxy}tetrahydro-2H-pyran
CID 16409720
Cyclohexene, 1-methyl-4-[1-(tetrahydropyran-2-yloxy)ethyl]-
CID 559212

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane?
The IUPAC name of 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane (CID 24972525) is 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane.
What is the SMILES notation for 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane?
The canonical SMILES for 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane is CCCCCC(/C=C/C1CCCCC1)OC1CCCCO1.
What is the InChIKey of 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane?
The InChIKey is ZCKQQXUNDXUKAH-CCEZHUSRSA-N. The full InChI is InChI=1S/C19H34O2/c1-2-3-5-12-18(21-19-13-8-9-16-20-19)15-14-17-10-6-4-7-11-17/h14-15,17-19H,2-13,16H2,1H3/b15-14+.
What are the key properties of 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane?
2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane has a molecular weight of 294.48 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-cyclohexyloct-1-en-3-yl]oxyoxane is sourced from PubChem (CID 24972525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).