9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane

C11H16O3 — CID 163486473

IUPAC9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane
SMILESCC12CCC3OC4OC4CC(O1)C32C
InChIInChI=1S/C11H16O3/c1-10-4-3-7-11(10,2)8(14-10)5-6-9(12-6)13-7/h6-9H,3-5H2,1-2H3
InChIKeyCIZDWULEKCJOMH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.46
Rot. Bonds

About 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane

9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane (PubChem CID 163486473) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane.

Molecular Properties

Compound Name9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane
PubChem CID163486473
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane
SMILESCC12CCC3OC4OC4CC(O1)C32C
InChIInChI=1S/C11H16O3/c1-10-4-3-7-11(10,2)8(14-10)5-6-9(12-6)13-7/h6-9H,3-5H2,1-2H3
InChIKeyCIZDWULEKCJOMH-UHFFFAOYSA-N
XLogP1.46
TPSA30.99 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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane?
The IUPAC name of 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane (CID 163486473) is 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane.
What is the SMILES notation for 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane?
The canonical SMILES for 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane is CC12CCC3OC4OC4CC(O1)C32C.
What is the InChIKey of 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane?
The InChIKey is CIZDWULEKCJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-10-4-3-7-11(10,2)8(14-10)5-6-9(12-6)13-7/h6-9H,3-5H2,1-2H3.
What are the key properties of 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane?
9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane has a molecular weight of 196.25 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dimethyl-2,4,8-trioxatetracyclo[5.4.1.03,5.09,12]dodecane is sourced from PubChem (CID 163486473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).