2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane

C12H22O5 — CID 13123214

IUPAC2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane
SMILESC=CCOCC1COCCOCCOCCO1
InChIInChI=1S/C12H22O5/c1-2-3-15-10-12-11-16-7-6-13-4-5-14-8-9-17-12/h2,12H,1,3-11H2
InChIKeyQURYXQDATAUISH-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.64
Rot. Bonds4

About 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane

2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane (PubChem CID 13123214) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane
PubChem CID13123214
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane
SMILESC=CCOCC1COCCOCCOCCO1
InChIInChI=1S/C12H22O5/c1-2-3-15-10-12-11-16-7-6-13-4-5-14-8-9-17-12/h2,12H,1,3-11H2
InChIKeyQURYXQDATAUISH-UHFFFAOYSA-N
XLogP0.64
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane?
The IUPAC name of 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane (CID 13123214) is 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane.
What is the SMILES notation for 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane?
The canonical SMILES for 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane is C=CCOCC1COCCOCCOCCO1.
What is the InChIKey of 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane?
The InChIKey is QURYXQDATAUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-2-3-15-10-12-11-16-7-6-13-4-5-14-8-9-17-12/h2,12H,1,3-11H2.
What are the key properties of 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane?
2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane has a molecular weight of 246.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)-1,4,7,10-tetraoxacyclododecane is sourced from PubChem (CID 13123214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).