3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal

C10H16O5 — CID 170789199

IUPAC3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCC=O
InChIInChI=1S/C10H16O5/c1-12-7-5-14-10-8(6-15-9(7)10)13-4-2-3-11/h3,7-10H,2,4-6H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyYCWQGMARVPVUJG-ZYUZMQFOSA-N
MW216.23 g/mol
LogP-0.23
Rot. Bonds5

About 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal

3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal (PubChem CID 170789199) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal.

Molecular Properties

Compound Name3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal
PubChem CID170789199
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCC=O
InChIInChI=1S/C10H16O5/c1-12-7-5-14-10-8(6-15-9(7)10)13-4-2-3-11/h3,7-10H,2,4-6H2,1H3/t7-,8-,9-,10-/m1/s1
InChIKeyYCWQGMARVPVUJG-ZYUZMQFOSA-N
XLogP-0.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal?
The IUPAC name of 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal (CID 170789199) is 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal.
What is the SMILES notation for 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal?
The canonical SMILES for 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal is CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OCCC=O.
What is the InChIKey of 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal?
The InChIKey is YCWQGMARVPVUJG-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H16O5/c1-12-7-5-14-10-8(6-15-9(7)10)13-4-2-3-11/h3,7-10H,2,4-6H2,1H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal?
3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal has a molecular weight of 216.23 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal is sourced from PubChem (CID 170789199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).