1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane

C21H34O6 — CID 118406224

IUPAC1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane
SMILESC=COCC(CC)(COC=C)COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C21H34O6/c1-7-20(13-22-8-2,14-23-9-3)15-27-19-21(16-24-10-4,17-25-11-5)18-26-12-6/h8-12H,2-7,13-19H2,1H3
InChIKeyBYTRWDGRICBCRI-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.19
Rot. Bonds20

About 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane

1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane (PubChem CID 118406224) has the molecular formula C21H34O6 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane.

Molecular Properties

Compound Name1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane
PubChem CID118406224
Molecular FormulaC21H34O6
Molecular Weight382.50 g/mol
Exact Mass382.24
IUPAC Name1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane
SMILESC=COCC(CC)(COC=C)COCC(COC=C)(COC=C)COC=C
InChIInChI=1S/C21H34O6/c1-7-20(13-22-8-2,14-23-9-3)15-27-19-21(16-24-10-4,17-25-11-5)18-26-12-6/h8-12H,2-7,13-19H2,1H3
InChIKeyBYTRWDGRICBCRI-UHFFFAOYSA-N
XLogP4.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane?
The IUPAC name of 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane (CID 118406224) is 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane.
What is the SMILES notation for 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane?
The canonical SMILES for 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane is C=COCC(CC)(COC=C)COCC(COC=C)(COC=C)COC=C.
What is the InChIKey of 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane?
The InChIKey is BYTRWDGRICBCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O6/c1-7-20(13-22-8-2,14-23-9-3)15-27-19-21(16-24-10-4,17-25-11-5)18-26-12-6/h8-12H,2-7,13-19H2,1H3.
What are the key properties of 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane?
1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane has a molecular weight of 382.50 g/mol, XLogP of 4.19, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-[[3-ethenoxy-2,2-bis(ethenoxymethyl)propoxy]methyl]-2-(ethenoxymethyl)butane is sourced from PubChem (CID 118406224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).