2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

C11H16O2 — CID 142358304

IUPAC2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
SMILESCC1C2CC3OC3C2CC2(C)OC12
InChIInChI=1S/C11H16O2/c1-5-6-3-8-9(12-8)7(6)4-11(2)10(5)13-11/h5-10H,3-4H2,1-2H3
InChIKeyJAGHKCMZOHRMLD-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds

About 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane

2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane (PubChem CID 142358304) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane.

Molecular Properties

Compound Name2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
PubChem CID142358304
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
SMILESCC1C2CC3OC3C2CC2(C)OC12
InChIInChI=1S/C11H16O2/c1-5-6-3-8-9(12-8)7(6)4-11(2)10(5)13-11/h5-10H,3-4H2,1-2H3
InChIKeyJAGHKCMZOHRMLD-UHFFFAOYSA-N
XLogP1.59
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The IUPAC name of 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane (CID 142358304) is 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane.
What is the SMILES notation for 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The canonical SMILES for 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane is CC1C2CC3OC3C2CC2(C)OC12.
What is the InChIKey of 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
The InChIKey is JAGHKCMZOHRMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-6-3-8-9(12-8)7(6)4-11(2)10(5)13-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane?
2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane has a molecular weight of 180.25 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane is sourced from PubChem (CID 142358304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).