(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one

C6H8O3 — CID 10329310

IUPAC(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
SMILESO=C1OC[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H8O3/c7-6-5-4(3-9-6)1-2-8-5/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyHNDPOQJYRNIGLF-RFZPGFLSSA-N
MW128.13 g/mol
LogP-0.05
Rot. Bonds

About (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one

(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one (PubChem CID 10329310) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one.

Molecular Properties

Compound Name(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
PubChem CID10329310
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
SMILESO=C1OC[C@H]2CCO[C@@H]12
InChIInChI=1S/C6H8O3/c7-6-5-4(3-9-6)1-2-8-5/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKeyHNDPOQJYRNIGLF-RFZPGFLSSA-N
XLogP-0.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The IUPAC name of (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one (CID 10329310) is (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one.
What is the SMILES notation for (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The canonical SMILES for (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one is O=C1OC[C@H]2CCO[C@@H]12.
What is the InChIKey of (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The InChIKey is HNDPOQJYRNIGLF-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H8O3/c7-6-5-4(3-9-6)1-2-8-5/h4-5H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
(3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one has a molecular weight of 128.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one is sourced from PubChem (CID 10329310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).