4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene

C11H16O3 — CID 90704592

IUPAC4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene
SMILESC1=CC2(CCC3(CCCO3)O2)OCC1
InChIInChI=1S/C11H16O3/c1-2-8-12-10(4-1)6-7-11(14-10)5-3-9-13-11/h1,4H,2-3,5-9H2
InChIKeyUMXPAGBTZHJZRV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.98
Rot. Bonds

About 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene

4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene (PubChem CID 90704592) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene.

Molecular Properties

Compound Name4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene
PubChem CID90704592
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene
SMILESC1=CC2(CCC3(CCCO3)O2)OCC1
InChIInChI=1S/C11H16O3/c1-2-8-12-10(4-1)6-7-11(14-10)5-3-9-13-11/h1,4H,2-3,5-9H2
InChIKeyUMXPAGBTZHJZRV-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene?
The IUPAC name of 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene (CID 90704592) is 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene.
What is the SMILES notation for 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene?
The canonical SMILES for 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene is C1=CC2(CCC3(CCCO3)O2)OCC1.
What is the InChIKey of 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene?
The InChIKey is UMXPAGBTZHJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-8-12-10(4-1)6-7-11(14-10)5-3-9-13-11/h1,4H,2-3,5-9H2.
What are the key properties of 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene?
4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene has a molecular weight of 196.25 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trioxadispiro[4.1.57.25]tetradec-11-ene is sourced from PubChem (CID 90704592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).