4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

C13H22O2 — CID 71126793

IUPAC4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCCC1(C)OC2C3CC(C(C)C3C)C2O1
InChIInChI=1S/C13H22O2/c1-5-13(4)14-11-9-6-10(12(11)15-13)8(3)7(9)2/h7-12H,5-6H2,1-4H3
InChIKeyCBHXBIYRSVKJQY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.82
Rot. Bonds1

About 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane

4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (PubChem CID 71126793) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
PubChem CID71126793
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane
SMILESCCC1(C)OC2C3CC(C(C)C3C)C2O1
InChIInChI=1S/C13H22O2/c1-5-13(4)14-11-9-6-10(12(11)15-13)8(3)7(9)2/h7-12H,5-6H2,1-4H3
InChIKeyCBHXBIYRSVKJQY-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane (CID 71126793) is 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is CCC1(C)OC2C3CC(C(C)C3C)C2O1.
What is the InChIKey of 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
The InChIKey is CBHXBIYRSVKJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-13(4)14-11-9-6-10(12(11)15-13)8(3)7(9)2/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane?
4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane has a molecular weight of 210.32 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,8,9-trimethyl-3,5-dioxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71126793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).