5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine

C9H12O2 — CID 20780746

IUPAC5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine
SMILESCC1=C2OCCOC2=C(C)C1
InChIInChI=1S/C9H12O2/c1-6-5-7(2)9-8(6)10-3-4-11-9/h3-5H2,1-2H3
InChIKeyCVKJLPFNNBXLTP-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.98
Rot. Bonds

About 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine

5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine (PubChem CID 20780746) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine
PubChem CID20780746
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine
SMILESCC1=C2OCCOC2=C(C)C1
InChIInChI=1S/C9H12O2/c1-6-5-7(2)9-8(6)10-3-4-11-9/h3-5H2,1-2H3
InChIKeyCVKJLPFNNBXLTP-UHFFFAOYSA-N
XLogP1.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine?
The IUPAC name of 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine (CID 20780746) is 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine.
What is the SMILES notation for 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine?
The canonical SMILES for 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine is CC1=C2OCCOC2=C(C)C1.
What is the InChIKey of 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine?
The InChIKey is CVKJLPFNNBXLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-7(2)9-8(6)10-3-4-11-9/h3-5H2,1-2H3.
What are the key properties of 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine?
5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine has a molecular weight of 152.19 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3,6-dihydro-2H-cyclopenta[b][1,4]dioxine is sourced from PubChem (CID 20780746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).