(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

C7H12O2 — CID 58779336

IUPAC(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESC[C@H]1CO[C@H]2OCCC21
InChIInChI=1S/C7H12O2/c1-5-4-9-7-6(5)2-3-8-7/h5-7H,2-4H2,1H3/t5-,6?,7+/m0/s1
InChIKeyOKGTUTLBTVDZPJ-REJBHVJUSA-N
MW128.17 g/mol
LogP1.02
Rot. Bonds

About (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (PubChem CID 58779336) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
PubChem CID58779336
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESC[C@H]1CO[C@H]2OCCC21
InChIInChI=1S/C7H12O2/c1-5-4-9-7-6(5)2-3-8-7/h5-7H,2-4H2,1H3/t5-,6?,7+/m0/s1
InChIKeyOKGTUTLBTVDZPJ-REJBHVJUSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
3-methyl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 12794840
(1R,2S,3S,6R,8S)-3-methyl-5,7,9-trioxatricyclo[6.3.0.02,6]undecane
CID 130240779
(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol;ethane
CID 142011906
(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,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 124524160
(3aR,4S,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-amine
CID 97302678
(3aS,4R)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
CID 69459334
2,7-dioxabicyclo[3.2.0]heptane
CID 118053300
(3aR,4S)-4-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyran
CID 163821136

Frequently Asked Questions

What is the IUPAC name of (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The IUPAC name of (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (CID 58779336) is (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.
What is the SMILES notation for (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The canonical SMILES for (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is C[C@H]1CO[C@H]2OCCC21.
What is the InChIKey of (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The InChIKey is OKGTUTLBTVDZPJ-REJBHVJUSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-4-9-7-6(5)2-3-8-7/h5-7H,2-4H2,1H3/t5-,6?,7+/m0/s1.
What are the key properties of (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
(4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan has a molecular weight of 128.17 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6aR)-4-methyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is sourced from PubChem (CID 58779336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).