(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde

C10H12O6 — CID 10751804

IUPAC(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde
SMILESCO[C@@]12OO[C@@H](O1)[C@@H]1C[C@H](C=O)[C@H](C=O)[C@@H]12
InChIInChI=1S/C10H12O6/c1-13-10-8-6(9(14-10)15-16-10)2-5(3-11)7(8)4-12/h3-9H,2H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKeyOPPLXOVSAXUIDM-TYKPCOJTSA-N
MW228.20 g/mol
LogP-0.13
Rot. Bonds3

About (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde

(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde (PubChem CID 10751804) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde.

Molecular Properties

Compound Name(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde
PubChem CID10751804
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde
SMILESCO[C@@]12OO[C@@H](O1)[C@@H]1C[C@H](C=O)[C@H](C=O)[C@@H]12
InChIInChI=1S/C10H12O6/c1-13-10-8-6(9(14-10)15-16-10)2-5(3-11)7(8)4-12/h3-9H,2H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1
InChIKeyOPPLXOVSAXUIDM-TYKPCOJTSA-N
XLogP-0.13
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexahydro-1h-1,6-epoxycyclopenta[1,2-c:3,4-c']difuran-3,4-dione
CID 223841
(1S,2R,6R,7R)-3-pentanoyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 134937697
(1S,2R,6R,7R)-3-nonanoyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 134937698
(1S,2R,6R,7R)-3-acetyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 134986788
(1S,2R,3S,4S,6R,7R)-3-acetyl-1-methyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 10537212
(1S,2R,3S,4S,6R,7R)-1-methyl-3-pentanoyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 10539824
(1S,2R,3S,4S,6R,7R)-1-methyl-3-(2-methylpropanoyl)-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 10562879
methyl (1S,2R,3S,4S,6R,7R)-4-formyl-1-methyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3-carboxylate
CID 10586221
1-[(1S,2R,3S,4S,6R,7R)-4-deuteriocarbonyl-8,9,10-trioxatricyclo[5.2.1.02,6]decan-3-yl]ethanone
CID 10632374
(1R,2R,3S,4S,6R,7R)-3-acetyl-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 10681606
methyl (1S,2R,3S,4S,6R,7R)-4-formyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3-carboxylate
CID 10704524
(1S,2R,3S,4S,6R,7R)-3-acetyl-1-butyl-8,9,10-trioxatricyclo[5.2.1.02,6]decane-4-carbaldehyde
CID 10730606

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde?
The IUPAC name of (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde (CID 10751804) is (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde.
What is the SMILES notation for (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde?
The canonical SMILES for (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde is CO[C@@]12OO[C@@H](O1)[C@@H]1C[C@H](C=O)[C@H](C=O)[C@@H]12.
What is the InChIKey of (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde?
The InChIKey is OPPLXOVSAXUIDM-TYKPCOJTSA-N. The full InChI is InChI=1S/C10H12O6/c1-13-10-8-6(9(14-10)15-16-10)2-5(3-11)7(8)4-12/h3-9H,2H2,1H3/t5-,6-,7+,8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde?
(1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde has a molecular weight of 228.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,6R,7R)-1-methoxy-8,9,10-trioxatricyclo[5.2.1.02,6]decane-3,4-dicarbaldehyde is sourced from PubChem (CID 10751804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).