(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol

C8H14O4 — CID 25184212

IUPAC(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol
SMILESCC1O[C@@H]2[C@H](O)COC2(C)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4-6(10)8(2)7(12-4)5(9)3-11-8/h4-7,9-10H,3H2,1-2H3/t4?,5-,6+,7-,8?/m1/s1
InChIKeyUFVNCZIFCGVFFP-ANJJMFEHSA-N
MW174.20 g/mol
LogP-0.72
Rot. Bonds

About (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol

(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol (PubChem CID 25184212) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol.

Molecular Properties

Compound Name(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol
PubChem CID25184212
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol
SMILESCC1O[C@@H]2[C@H](O)COC2(C)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4-6(10)8(2)7(12-4)5(9)3-11-8/h4-7,9-10H,3H2,1-2H3/t4?,5-,6+,7-,8?/m1/s1
InChIKeyUFVNCZIFCGVFFP-ANJJMFEHSA-N
XLogP-0.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol?
The IUPAC name of (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol (CID 25184212) is (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol.
What is the SMILES notation for (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol?
The canonical SMILES for (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol is CC1O[C@@H]2[C@H](O)COC2(C)[C@H]1O.
What is the InChIKey of (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol?
The InChIKey is UFVNCZIFCGVFFP-ANJJMFEHSA-N. The full InChI is InChI=1S/C8H14O4/c1-4-6(10)8(2)7(12-4)5(9)3-11-8/h4-7,9-10H,3H2,1-2H3/t4?,5-,6+,7-,8?/m1/s1.
What are the key properties of (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol?
(3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol has a molecular weight of 174.20 g/mol, XLogP of -0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S)-5,6a-dimethyl-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan-3,6-diol is sourced from PubChem (CID 25184212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).