(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde

C10H14O3 — CID 122378529

IUPAC(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde
SMILESO=C[C@@H]1C[C@@H]2C(O)O[C@@H]3CC[C@H]1[C@H]23
InChIInChI=1S/C10H14O3/c11-4-5-3-7-9-6(5)1-2-8(9)13-10(7)12/h4-10,12H,1-3H2/t5-,6+,7-,8+,9+,10?/m0/s1
InChIKeyMFDIJQLNBUARHB-RARKTWBQSA-N
MW182.22 g/mol
LogP0.56
Rot. Bonds1

About (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde

(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde (PubChem CID 122378529) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde.

Molecular Properties

Compound Name(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde
PubChem CID122378529
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde
SMILESO=C[C@@H]1C[C@@H]2C(O)O[C@@H]3CC[C@H]1[C@H]23
InChIInChI=1S/C10H14O3/c11-4-5-3-7-9-6(5)1-2-8(9)13-10(7)12/h4-10,12H,1-3H2/t5-,6+,7-,8+,9+,10?/m0/s1
InChIKeyMFDIJQLNBUARHB-RARKTWBQSA-N
XLogP0.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde with MolForge

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Related Compounds

(2R,3aR,4S,6aS)-2-hydroxy-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 59897424
(1R,2S,6R,7R,10R,12S,13S)-9-hydroxy-3,3,6-trimethyl-8-oxatetracyclo[5.5.1.02,6.010,13]tridecane-12-carbaldehyde
CID 11108225
2-hydroxy-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 22085162
2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 130035314
(3aR,4R,6aS)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-carbaldehyde
CID 130754551
2-[(3aS,4R,6aR)-2-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]acetaldehyde
CID 130956237

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde?
The IUPAC name of (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde (CID 122378529) is (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde.
What is the SMILES notation for (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde?
The canonical SMILES for (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde is O=C[C@@H]1C[C@@H]2C(O)O[C@@H]3CC[C@H]1[C@H]23.
What is the InChIKey of (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde?
The InChIKey is MFDIJQLNBUARHB-RARKTWBQSA-N. The full InChI is InChI=1S/C10H14O3/c11-4-5-3-7-9-6(5)1-2-8(9)13-10(7)12/h4-10,12H,1-3H2/t5-,6+,7-,8+,9+,10?/m0/s1.
What are the key properties of (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde?
(1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde has a molecular weight of 182.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6R,7S,10R)-3-hydroxy-2-oxatricyclo[5.2.1.04,10]decane-6-carbaldehyde is sourced from PubChem (CID 122378529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).