4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane

C13H24O3 — CID 175329752

IUPAC4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
SMILESC=COCC(CC)(CCCOCC)OC=C
InChIInChI=1S/C13H24O3/c1-5-13(16-8-4,12-15-7-3)10-9-11-14-6-2/h7-8H,3-6,9-12H2,1-2H3
InChIKeyFJYVADIBPMFCMT-UHFFFAOYSA-N
MW228.33 g/mol
LogP3.27
Rot. Bonds11

About 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane

4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane (PubChem CID 175329752) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane.

Molecular Properties

Compound Name4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
PubChem CID175329752
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane
SMILESC=COCC(CC)(CCCOCC)OC=C
InChIInChI=1S/C13H24O3/c1-5-13(16-8-4,12-15-7-3)10-9-11-14-6-2/h7-8H,3-6,9-12H2,1-2H3
InChIKeyFJYVADIBPMFCMT-UHFFFAOYSA-N
XLogP3.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane?
The IUPAC name of 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane (CID 175329752) is 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane.
What is the SMILES notation for 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane?
The canonical SMILES for 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane is C=COCC(CC)(CCCOCC)OC=C.
What is the InChIKey of 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane?
The InChIKey is FJYVADIBPMFCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-13(16-8-4,12-15-7-3)10-9-11-14-6-2/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane?
4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane has a molecular weight of 228.33 g/mol, XLogP of 3.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenoxy-4-(ethenoxymethyl)-1-ethoxyhexane is sourced from PubChem (CID 175329752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).