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

C8H14O2 — CID 59997534

IUPAC(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1CO[C@H]2[C@H]1OC[C@@H]2C
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-
InChIKeyLCRDYQLDFQLXMG-SOSBWXJGSA-N
MW142.20 g/mol
LogP1.06
Rot. Bonds

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

(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 59997534) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID59997534
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC[C@@H]1CO[C@H]2[C@H]1OC[C@@H]2C
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-
InChIKeyLCRDYQLDFQLXMG-SOSBWXJGSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 59997534) is (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C[C@@H]1CO[C@H]2[C@H]1OC[C@@H]2C.
What is the InChIKey of (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is LCRDYQLDFQLXMG-SOSBWXJGSA-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-.
What are the key properties of (3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6R,6aS)-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,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 59997534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).