2,7-dioxabicyclo[3.2.0]heptane

C5H8O2 — CID 118053300

IUPAC2,7-dioxabicyclo[3.2.0]heptane
SMILESC1CC2COC2O1
InChIInChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2
InChIKeyCMTGZLZAPGEEGO-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.38
Rot. Bonds

About 2,7-dioxabicyclo[3.2.0]heptane

2,7-dioxabicyclo[3.2.0]heptane (PubChem CID 118053300) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 2,7-dioxabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name2,7-dioxabicyclo[3.2.0]heptane
PubChem CID118053300
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name2,7-dioxabicyclo[3.2.0]heptane
SMILESC1CC2COC2O1
InChIInChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2
InChIKeyCMTGZLZAPGEEGO-UHFFFAOYSA-N
XLogP0.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;(3aR,4R,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 159842811
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
(3aR,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
(3aS,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144802403
(3aR,6aS)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768058
(3aR,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;ethane
CID 144768068
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(1S,4S,6R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979764
O-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)hydroxylamine
CID 123959878
(1S,4S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-one
CID 153281922

Frequently Asked Questions

What is the IUPAC name of 2,7-dioxabicyclo[3.2.0]heptane?
The IUPAC name of 2,7-dioxabicyclo[3.2.0]heptane (CID 118053300) is 2,7-dioxabicyclo[3.2.0]heptane.
What is the SMILES notation for 2,7-dioxabicyclo[3.2.0]heptane?
The canonical SMILES for 2,7-dioxabicyclo[3.2.0]heptane is C1CC2COC2O1.
What is the InChIKey of 2,7-dioxabicyclo[3.2.0]heptane?
The InChIKey is CMTGZLZAPGEEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-6-5-4(1)3-7-5/h4-5H,1-3H2.
What are the key properties of 2,7-dioxabicyclo[3.2.0]heptane?
2,7-dioxabicyclo[3.2.0]heptane has a molecular weight of 100.12 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dioxabicyclo[3.2.0]heptane is sourced from PubChem (CID 118053300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).