(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde

C8H10O4 — CID 129267682

IUPAC(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
SMILESO=CC1CO[C@@H]2C(C=O)CO[C@H]12
InChIInChI=1S/C8H10O4/c9-1-5-3-11-8-6(2-10)4-12-7(5)8/h1-2,5-8H,3-4H2/t5?,6?,7-,8-/m1/s1
InChIKeyRTCGFXRWVMUOFY-DWYQZRHDSA-N
MW170.16 g/mol
LogP-0.59
Rot. Bonds2

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

(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde (PubChem CID 129267682) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde.

Molecular Properties

Compound Name(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
PubChem CID129267682
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
SMILESO=CC1CO[C@@H]2C(C=O)CO[C@H]12
InChIInChI=1S/C8H10O4/c9-1-5-3-11-8-6(2-10)4-12-7(5)8/h1-2,5-8H,3-4H2/t5?,6?,7-,8-/m1/s1
InChIKeyRTCGFXRWVMUOFY-DWYQZRHDSA-N
XLogP-0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde?
The IUPAC name of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde (CID 129267682) is (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde.
What is the SMILES notation for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde?
The canonical SMILES for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde is O=CC1CO[C@@H]2C(C=O)CO[C@H]12.
What is the InChIKey of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde?
The InChIKey is RTCGFXRWVMUOFY-DWYQZRHDSA-N. The full InChI is InChI=1S/C8H10O4/c9-1-5-3-11-8-6(2-10)4-12-7(5)8/h1-2,5-8H,3-4H2/t5?,6?,7-,8-/m1/s1.
What are the key properties of (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde?
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde has a molecular weight of 170.16 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde is sourced from PubChem (CID 129267682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).