[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane

C15H28O3 — CID 10587193

IUPAC[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane
SMILESC=C(COC(C)OCC)C(OC)C1CCCCC1
InChIInChI=1S/C15H28O3/c1-5-17-13(3)18-11-12(2)15(16-4)14-9-7-6-8-10-14/h13-15H,2,5-11H2,1,3-4H3
InChIKeyURSWHIAPOQSSHO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.54
Rot. Bonds8

About [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane

[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane (PubChem CID 10587193) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane.

Molecular Properties

Compound Name[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane
PubChem CID10587193
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane
SMILESC=C(COC(C)OCC)C(OC)C1CCCCC1
InChIInChI=1S/C15H28O3/c1-5-17-13(3)18-11-12(2)15(16-4)14-9-7-6-8-10-14/h13-15H,2,5-11H2,1,3-4H3
InChIKeyURSWHIAPOQSSHO-UHFFFAOYSA-N
XLogP3.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane?
The IUPAC name of [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane (CID 10587193) is [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane.
What is the SMILES notation for [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane?
The canonical SMILES for [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane is C=C(COC(C)OCC)C(OC)C1CCCCC1.
What is the InChIKey of [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane?
The InChIKey is URSWHIAPOQSSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-17-13(3)18-11-12(2)15(16-4)14-9-7-6-8-10-14/h13-15H,2,5-11H2,1,3-4H3.
What are the key properties of [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane?
[2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane has a molecular weight of 256.39 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxyethoxymethyl)-1-methoxyprop-2-enyl]cyclohexane is sourced from PubChem (CID 10587193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).