4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene

C15H20O2 — CID 10399059

IUPAC4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C1CCC2(C)OOC1(C)C
InChIInChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3
InChIKeyALXPNLYWXCZUCG-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.83
Rot. Bonds

About 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene

4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene (PubChem CID 10399059) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
PubChem CID10399059
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene
SMILESCc1ccc2c(c1)C1CCC2(C)OOC1(C)C
InChIInChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3
InChIKeyALXPNLYWXCZUCG-UHFFFAOYSA-N
XLogP3.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene (CID 10399059) is 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene is Cc1ccc2c(c1)C1CCC2(C)OOC1(C)C.
What is the InChIKey of 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
The InChIKey is ALXPNLYWXCZUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)17-16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3.
What are the key properties of 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene?
4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene has a molecular weight of 232.32 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 10399059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).