8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane

C10H16O3 — CID 138502243

IUPAC8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane
SMILESCC1CC23CCCCC(C1)(OO2)O3
InChIInChI=1S/C10H16O3/c1-8-6-9-4-2-3-5-10(7-8,11-9)13-12-9/h8H,2-7H2,1H3
InChIKeyXXYNACINWRWFKN-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.36
Rot. Bonds

About 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane

8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane (PubChem CID 138502243) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane.

Molecular Properties

Compound Name8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane
PubChem CID138502243
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane
SMILESCC1CC23CCCCC(C1)(OO2)O3
InChIInChI=1S/C10H16O3/c1-8-6-9-4-2-3-5-10(7-8,11-9)13-12-9/h8H,2-7H2,1H3
InChIKeyXXYNACINWRWFKN-UHFFFAOYSA-N
XLogP2.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane?
The IUPAC name of 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane (CID 138502243) is 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane.
What is the SMILES notation for 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane?
The canonical SMILES for 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane is CC1CC23CCCCC(C1)(OO2)O3.
What is the InChIKey of 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane?
The InChIKey is XXYNACINWRWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-8-6-9-4-2-3-5-10(7-8,11-9)13-12-9/h8H,2-7H2,1H3.
What are the key properties of 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane?
8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane has a molecular weight of 184.23 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-10,11,12-trioxatricyclo[4.3.2.11,6]dodecane is sourced from PubChem (CID 138502243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).