[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane

C13H20O — CID 24860028

IUPAC[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane
SMILESC#CCO[C@@H](/C=C/C)C1CCCCC1
InChIInChI=1S/C13H20O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h2-3,8,12-13H,5-7,9-11H2,1H3/b8-3+/t13-/m0/s1
InChIKeyJDAXYJNAPYAUOK-UTPRNQHHSA-N
MW192.30 g/mol
LogP3.16
Rot. Bonds4

About [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane

[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane (PubChem CID 24860028) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane.

Molecular Properties

Compound Name[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane
PubChem CID24860028
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane
SMILESC#CCO[C@@H](/C=C/C)C1CCCCC1
InChIInChI=1S/C13H20O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h2-3,8,12-13H,5-7,9-11H2,1H3/b8-3+/t13-/m0/s1
InChIKeyJDAXYJNAPYAUOK-UTPRNQHHSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-prop-1-en-2-yl-1-(prop-2-ynoxymethyl)cyclohexene
CID 44433588
Lanceoloxide
CID 91749733
2-cyclohexyl-3,6-dihydro-2H-pyran
CID 11126643
2H-Pyran, 2-cyclohexyl-5,6-dihydro-
CID 11829812
[(Z,1S)-1-(2-methylprop-2-enoxy)but-2-enyl]cyclohexane
CID 11858809
(2R)-2-cyclohexyl-2,5-dihydrofuran
CID 118013458
3-Fluoro-4-methyl-6-pent-4-ynoxycyclohexene
CID 91026939
6-[2-(3-fluoro-4-methylcyclohexyl)ethyl]-3-methyl-3,6-dihydro-2H-pyran
CID 166933991
4-butyl-6-propan-2-yl-5-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11020500
[(2S,5S)-5-cyclohexyl-2-ethenyl-2,5-dihydrofuran-3-yl]-trimethylsilane
CID 11736827
(6R)-6-cyclohexyl-3,6-dihydro-2H-pyran
CID 12023482
(2S,6R)-6-cyclohexyl-2-methyl-3,6-dihydro-2H-pyran
CID 12023486

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane?
The IUPAC name of [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane (CID 24860028) is [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane.
What is the SMILES notation for [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane?
The canonical SMILES for [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane is C#CCO[C@@H](/C=C/C)C1CCCCC1.
What is the InChIKey of [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane?
The InChIKey is JDAXYJNAPYAUOK-UTPRNQHHSA-N. The full InChI is InChI=1S/C13H20O/c1-3-8-13(14-11-4-2)12-9-6-5-7-10-12/h2-3,8,12-13H,5-7,9-11H2,1H3/b8-3+/t13-/m0/s1.
What are the key properties of [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane?
[(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane has a molecular weight of 192.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-prop-2-ynoxybut-2-enyl]cyclohexane is sourced from PubChem (CID 24860028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).