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

C7H12O2 — CID 118370032

IUPAC(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@H]1CO[C@@H]2CCOC12
InChIInChI=1S/C7H12O2/c1-5-4-9-6-2-3-8-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyHGBAJKXNBQUWSB-GFCOJPQKSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds

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

(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 118370032) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID118370032
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@H]1CO[C@@H]2CCOC12
InChIInChI=1S/C7H12O2/c1-5-4-9-6-2-3-8-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyHGBAJKXNBQUWSB-GFCOJPQKSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 118370032) is (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C[C@H]1CO[C@@H]2CCOC12.
What is the InChIKey of (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is HGBAJKXNBQUWSB-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-4-9-6-2-3-8-7(5)6/h5-7H,2-4H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 128.17 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 118370032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).