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

C8H14O2 — CID 168912924

IUPAC(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1COC2[C@@H](C)CO[C@@H]21
InChIInChI=1S/C8H14O2/c1-5-3-9-8-6(2)4-10-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8?/m1/s1
InChIKeyLCRDYQLDFQLXMG-MOMMNUENSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds

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

(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 168912924) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID168912924
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1COC2[C@@H](C)CO[C@@H]21
InChIInChI=1S/C8H14O2/c1-5-3-9-8-6(2)4-10-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8?/m1/s1
InChIKeyLCRDYQLDFQLXMG-MOMMNUENSA-N
XLogP1.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
(3S,3aR,6S,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;bis((3S,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan);(3R,3aR,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aS,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;methane
CID 161227566
(3S,3aR,6S,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59170536
(3R,3aS,6R,6aS)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 59488082
6-tert-butyl-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethane
CID 145421576
N,2-dimethyl-4-(3-methyloxetan-2-yl)oxetan-3-amine
CID 167237186
(3aR,6aR)-3-methyl-6-propyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 131969290
2-[(3R,3aR,6aR)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]ethanol
CID 118424602
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
(3R,3aR,6S,6aS)-6-(3,3-dimethylbutoxy)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163610211

Frequently Asked Questions

What is the IUPAC name of (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 168912924) is (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C[C@@H]1COC2[C@@H](C)CO[C@@H]21.
What is the InChIKey of (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is LCRDYQLDFQLXMG-MOMMNUENSA-N. The full InChI is InChI=1S/C8H14O2/c1-5-3-9-8-6(2)4-10-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8?/m1/s1.
What are the key properties of (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 142.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,6aR)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 168912924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).