1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane

C20H34O5 — CID 23556497

IUPAC1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane
SMILESC=COCC(CC)(COC=C)COCC(CC)(COC=C)COC=C
InChIInChI=1S/C20H34O5/c1-7-19(13-21-9-3,14-22-10-4)17-25-18-20(8-2,15-23-11-5)16-24-12-6/h9-12H,3-8,13-18H2,1-2H3
InChIKeyQYMYXTRSROVSPH-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.44
Rot. Bonds18

About 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane

1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane (PubChem CID 23556497) has the molecular formula C20H34O5 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane.

Molecular Properties

Compound Name1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane
PubChem CID23556497
Molecular FormulaC20H34O5
Molecular Weight354.49 g/mol
Exact Mass354.24
IUPAC Name1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane
SMILESC=COCC(CC)(COC=C)COCC(CC)(COC=C)COC=C
InChIInChI=1S/C20H34O5/c1-7-19(13-21-9-3,14-22-10-4)17-25-18-20(8-2,15-23-11-5)16-24-12-6/h9-12H,3-8,13-18H2,1-2H3
InChIKeyQYMYXTRSROVSPH-UHFFFAOYSA-N
XLogP4.44
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane?
The IUPAC name of 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane (CID 23556497) is 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane.
What is the SMILES notation for 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane?
The canonical SMILES for 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane is C=COCC(CC)(COC=C)COCC(CC)(COC=C)COC=C.
What is the InChIKey of 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane?
The InChIKey is QYMYXTRSROVSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O5/c1-7-19(13-21-9-3,14-22-10-4)17-25-18-20(8-2,15-23-11-5)16-24-12-6/h9-12H,3-8,13-18H2,1-2H3.
What are the key properties of 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane?
1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane has a molecular weight of 354.49 g/mol, XLogP of 4.44, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(ethenoxymethyl)butoxy]-2,2-bis(ethenoxymethyl)butane is sourced from PubChem (CID 23556497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).