2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane

C16H24O2 — CID 71620171

IUPAC2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane
SMILESC#CCCCC1C=CC(OC2CCCCO2)CC1
InChIInChI=1S/C16H24O2/c1-2-3-4-7-14-9-11-15(12-10-14)18-16-8-5-6-13-17-16/h1,9,11,14-16H,3-8,10,12-13H2
InChIKeyOXSLUVAHHUNBFE-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane

2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane (PubChem CID 71620171) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane.

Molecular Properties

Compound Name2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane
PubChem CID71620171
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane
SMILESC#CCCCC1C=CC(OC2CCCCO2)CC1
InChIInChI=1S/C16H24O2/c1-2-3-4-7-14-9-11-15(12-10-14)18-16-8-5-6-13-17-16/h1,9,11,14-16H,3-8,10,12-13H2
InChIKeyOXSLUVAHHUNBFE-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.67
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
(1R,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164673862
(1S,3R,4R,8S)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164680463
(1S,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164681095
Cyclohexanol, 2-(5-((tetrahydro-2H-pyrn-2-yl)oxy)-3-pentenyl)-, (1alpha,2beta(E))-
CID 6442588
(2S,3R)-2-[(1R)-1-(cyclohexen-1-yl)but-3-ynoxy]-3-iodooxane
CID 11256919
(2S,3R)-2-[(1S)-1-(cyclohexen-1-yl)but-3-ynoxy]-3-iodooxane
CID 101063731
2-[(E)-3-[(2S,5R)-5-hex-5-ynyl-4-methyl-2,5-dihydrofuran-2-yl]-2-methylprop-2-enoxy]oxane
CID 10403612
2-[(E)-3-[(2R,5R)-5-hex-5-ynyl-4-methyl-2,5-dihydrofuran-2-yl]-2-methylprop-2-enoxy]oxane
CID 10426048
2-[(5R)-5-[(Z,1S)-1-methoxyhept-4-en-2,6-diynyl]-2,6,6-trimethylcyclohexen-1-yl]-5,5-dimethyl-1,3-dioxane
CID 10665978
2-[(E)-1-amyl-3-cyclohexyl-prop-2-enoxy]tetrahydropyran
CID 24972525
(4aR,7S,8aS)-2,7-dimethoxy-3,4,4a,7,8,8a-hexahydro-2H-chromene
CID 102478791

Frequently Asked Questions

What is the IUPAC name of 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane?
The IUPAC name of 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane (CID 71620171) is 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane.
What is the SMILES notation for 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane?
The canonical SMILES for 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane is C#CCCCC1C=CC(OC2CCCCO2)CC1.
What is the InChIKey of 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane?
The InChIKey is OXSLUVAHHUNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-4-7-14-9-11-15(12-10-14)18-16-8-5-6-13-17-16/h1,9,11,14-16H,3-8,10,12-13H2.
What are the key properties of 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane?
2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane has a molecular weight of 248.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pent-4-ynylcyclohex-2-en-1-yl)oxyoxane is sourced from PubChem (CID 71620171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).