6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane

C13H20O4 — CID 10263671

IUPAC6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane
SMILESC=CCC1(C)C2(CCC13OCCO3)OCCO2
InChIInChI=1S/C13H20O4/c1-3-4-11(2)12(14-7-8-15-12)5-6-13(11)16-9-10-17-13/h3H,1,4-10H2,2H3
InChIKeyMOBJXEREXFTSEU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.85
Rot. Bonds2

About 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane

6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane (PubChem CID 10263671) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane.

Molecular Properties

Compound Name6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane
PubChem CID10263671
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane
SMILESC=CCC1(C)C2(CCC13OCCO3)OCCO2
InChIInChI=1S/C13H20O4/c1-3-4-11(2)12(14-7-8-15-12)5-6-13(11)16-9-10-17-13/h3H,1,4-10H2,2H3
InChIKeyMOBJXEREXFTSEU-UHFFFAOYSA-N
XLogP1.85
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane?
The IUPAC name of 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane (CID 10263671) is 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane.
What is the SMILES notation for 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane?
The canonical SMILES for 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane is C=CCC1(C)C2(CCC13OCCO3)OCCO2.
What is the InChIKey of 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane?
The InChIKey is MOBJXEREXFTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-4-11(2)12(14-7-8-15-12)5-6-13(11)16-9-10-17-13/h3H,1,4-10H2,2H3.
What are the key properties of 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane?
6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane has a molecular weight of 240.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-prop-2-enyl-1,4,8,11-tetraoxadispiro[4.1.47.25]tridecane is sourced from PubChem (CID 10263671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).