4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

C7H12O2 — CID 167015237

IUPAC4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCC1OCC2COCC21
InChIInChI=1S/C7H12O2/c1-5-7-4-8-2-6(7)3-9-5/h5-7H,2-4H2,1H3
InChIKeyNZYUZEFQCUAAPU-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.67
Rot. Bonds

About 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (PubChem CID 167015237) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.

Molecular Properties

Compound Name4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
PubChem CID167015237
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCC1OCC2COCC21
InChIInChI=1S/C7H12O2/c1-5-7-4-8-2-6(7)3-9-5/h5-7H,2-4H2,1H3
InChIKeyNZYUZEFQCUAAPU-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1,3,3a,4,5,6,7,8,9,9a-decahydrocycloocta[c]furan
CID 67031672
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
3-[(1R,2R)-2-propan-2-ylcyclopropyl]oxetane
CID 175612432
5-tert-butyl-1-methyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 118901667
6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163802098
(2S,3R,4R)-2-methyloxolane-3,4-diol
CID 101241466
9-methyl-3-oxabicyclo[3.3.1]nonane
CID 90743845
(2R,4R,5S)-2-methyloxane-3,4,5-triol
CID 89321348
(2S,5R)-2-methyloxane-3,4,5-triol
CID 67963515

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The IUPAC name of 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (CID 167015237) is 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.
What is the SMILES notation for 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The canonical SMILES for 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is CC1OCC2COCC21.
What is the InChIKey of 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The InChIKey is NZYUZEFQCUAAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-7-4-8-2-6(7)3-9-5/h5-7H,2-4H2,1H3.
What are the key properties of 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan has a molecular weight of 128.17 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is sourced from PubChem (CID 167015237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).