5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

C7H12O2 — CID 118906429

IUPAC5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESCC1CC2CCOC2O1
InChIInChI=1S/C7H12O2/c1-5-4-6-2-3-8-7(6)9-5/h5-7H,2-4H2,1H3
InChIKeyUANXWVVTKZAAIS-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.16
Rot. Bonds

About 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (PubChem CID 118906429) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
PubChem CID118906429
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESCC1CC2CCOC2O1
InChIInChI=1S/C7H12O2/c1-5-4-6-2-3-8-7(6)9-5/h5-7H,2-4H2,1H3
InChIKeyUANXWVVTKZAAIS-UHFFFAOYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan with MolForge

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Related Compounds

2-methyl-4-(oxiran-2-yl)oxane
CID 126541590
(3aS,5R,6aR)-5-(2,3,4,5,6-pentafluorophenyl)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 56849941
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
CID 58779336
4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane
CID 87377535
(4R)-2,4-dimethyloxane
CID 129313541
(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
2,4-dimethyloxane;ethane
CID 143101228
2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
CID 544816
(5R)-2,6-dioxabicyclo[3.1.0]hexane
CID 174637140

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The IUPAC name of 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (CID 118906429) is 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.
What is the SMILES notation for 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The canonical SMILES for 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is CC1CC2CCOC2O1.
What is the InChIKey of 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The InChIKey is UANXWVVTKZAAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-4-6-2-3-8-7(6)9-5/h5-7H,2-4H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan has a molecular weight of 128.17 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is sourced from PubChem (CID 118906429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).