3-(3-cyclohexylprop-1-enoxy)oxane

C14H24O2 — CID 70400555

IUPAC3-(3-cyclohexylprop-1-enoxy)oxane
SMILESC(=COC1CCCOC1)CC1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h4,11,13-14H,1-3,5-10,12H2
InChIKeyAQPIWJHXGSKIJC-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 3-(3-cyclohexylprop-1-enoxy)oxane

3-(3-cyclohexylprop-1-enoxy)oxane (PubChem CID 70400555) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 3-(3-cyclohexylprop-1-enoxy)oxane.

Molecular Properties

Compound Name3-(3-cyclohexylprop-1-enoxy)oxane
PubChem CID70400555
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name3-(3-cyclohexylprop-1-enoxy)oxane
SMILESC(=COC1CCCOC1)CC1CCCCC1
InChIInChI=1S/C14H24O2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h4,11,13-14H,1-3,5-10,12H2
InChIKeyAQPIWJHXGSKIJC-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexylprop-1-enoxy)oxane?
The IUPAC name of 3-(3-cyclohexylprop-1-enoxy)oxane (CID 70400555) is 3-(3-cyclohexylprop-1-enoxy)oxane.
What is the SMILES notation for 3-(3-cyclohexylprop-1-enoxy)oxane?
The canonical SMILES for 3-(3-cyclohexylprop-1-enoxy)oxane is C(=COC1CCCOC1)CC1CCCCC1.
What is the InChIKey of 3-(3-cyclohexylprop-1-enoxy)oxane?
The InChIKey is AQPIWJHXGSKIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-2-6-13(7-3-1)8-4-11-16-14-9-5-10-15-12-14/h4,11,13-14H,1-3,5-10,12H2.
What are the key properties of 3-(3-cyclohexylprop-1-enoxy)oxane?
3-(3-cyclohexylprop-1-enoxy)oxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexylprop-1-enoxy)oxane is sourced from PubChem (CID 70400555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).