6aH-cyclopenta[d][1,3]dioxole

C6H6O2 — CID 68595601

IUPAC6aH-cyclopenta[d][1,3]dioxole
SMILESC1=CC2OCOC2=C1
InChIInChI=1S/C6H6O2/c1-2-5-6(3-1)8-4-7-5/h1-3,5H,4H2
InChIKeyDHSMOJJTKZZRDX-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.81
Rot. Bonds

About 6aH-cyclopenta[d][1,3]dioxole

6aH-cyclopenta[d][1,3]dioxole (PubChem CID 68595601) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 6aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name6aH-cyclopenta[d][1,3]dioxole
PubChem CID68595601
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name6aH-cyclopenta[d][1,3]dioxole
SMILESC1=CC2OCOC2=C1
InChIInChI=1S/C6H6O2/c1-2-5-6(3-1)8-4-7-5/h1-3,5H,4H2
InChIKeyDHSMOJJTKZZRDX-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 6aH-cyclopenta[d][1,3]dioxole (CID 68595601) is 6aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 6aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 6aH-cyclopenta[d][1,3]dioxole is C1=CC2OCOC2=C1.
What is the InChIKey of 6aH-cyclopenta[d][1,3]dioxole?
The InChIKey is DHSMOJJTKZZRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c1-2-5-6(3-1)8-4-7-5/h1-3,5H,4H2.
What are the key properties of 6aH-cyclopenta[d][1,3]dioxole?
6aH-cyclopenta[d][1,3]dioxole has a molecular weight of 110.11 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 68595601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).