(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran

C12H14O2 — CID 12969898

IUPAC(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran
SMILESCC1(C)C[C@@H]2c3ccccc3O[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-12(2)7-9-8-5-3-4-6-10(8)13-11(9)14-12/h3-6,9,11H,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyZRQITMFVFYFKLY-MWLCHTKSSA-N
MW190.24 g/mol
LogP2.69
Rot. Bonds

About (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran

(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran (PubChem CID 12969898) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran.

Molecular Properties

Compound Name(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran
PubChem CID12969898
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran
SMILESCC1(C)C[C@@H]2c3ccccc3O[C@@H]2O1
InChIInChI=1S/C12H14O2/c1-12(2)7-9-8-5-3-4-6-10(8)13-11(9)14-12/h3-6,9,11H,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyZRQITMFVFYFKLY-MWLCHTKSSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran?
The IUPAC name of (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran (CID 12969898) is (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran.
What is the SMILES notation for (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran?
The canonical SMILES for (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran is CC1(C)C[C@@H]2c3ccccc3O[C@@H]2O1.
What is the InChIKey of (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran?
The InChIKey is ZRQITMFVFYFKLY-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(2)7-9-8-5-3-4-6-10(8)13-11(9)14-12/h3-6,9,11H,7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran?
(3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran has a molecular weight of 190.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2,2-dimethyl-3a,8b-dihydro-1H-furo[2,3-b][1]benzofuran is sourced from PubChem (CID 12969898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).