cyclopenta[d][1,3]dioxine

C7H6O2 — CID 154059581

IUPACcyclopenta[d][1,3]dioxine
SMILESC1=CC2=COCOC2=C1
InChIInChI=1S/C7H6O2/c1-2-6-4-8-5-9-7(6)3-1/h1-4H,5H2
InChIKeyYGHAZYQPHCAPNC-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.33
Rot. Bonds

About cyclopenta[d][1,3]dioxine

cyclopenta[d][1,3]dioxine (PubChem CID 154059581) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is cyclopenta[d][1,3]dioxine.

Molecular Properties

Compound Namecyclopenta[d][1,3]dioxine
PubChem CID154059581
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Namecyclopenta[d][1,3]dioxine
SMILESC1=CC2=COCOC2=C1
InChIInChI=1S/C7H6O2/c1-2-6-4-8-5-9-7(6)3-1/h1-4H,5H2
InChIKeyYGHAZYQPHCAPNC-UHFFFAOYSA-N
XLogP1.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Furo[2,3-b]pyran
CID 90421915
Methylene 3,4-methylenedioxybenzene
CID 162393126
5-Ethenyl-2,4-benzodioxepine
CID 19812424
4H-cyclopenta[g][1,3]benzodioxole
CID 21933619
3,6-dihydro-2H-furo[2,3-b]pyran
CID 66932580
6,7a-dihydro-5H-furo[2,3-b]pyran
CID 67038939
Indeno[1,2-d][1,3]dioxine
CID 87169428
4-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,3-dioxole
CID 89839808
Cyclopenta[h][1,3]benzodioxine
CID 90219376
4-Ethenyl-5-prop-1-en-2-yl-1,3-dioxole
CID 141973569
Cyclopenta[d][1,3]dioxin-7-ol
CID 142781641
5-ethylidene-4H-1,3-benzodioxole
CID 152123475

Frequently Asked Questions

What is the IUPAC name of cyclopenta[d][1,3]dioxine?
The IUPAC name of cyclopenta[d][1,3]dioxine (CID 154059581) is cyclopenta[d][1,3]dioxine.
What is the SMILES notation for cyclopenta[d][1,3]dioxine?
The canonical SMILES for cyclopenta[d][1,3]dioxine is C1=CC2=COCOC2=C1.
What is the InChIKey of cyclopenta[d][1,3]dioxine?
The InChIKey is YGHAZYQPHCAPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c1-2-6-4-8-5-9-7(6)3-1/h1-4H,5H2.
What are the key properties of cyclopenta[d][1,3]dioxine?
cyclopenta[d][1,3]dioxine has a molecular weight of 122.12 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[d][1,3]dioxine is sourced from PubChem (CID 154059581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).