(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde

C10H14O4 — CID 89064448

IUPAC(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
SMILESO=C[C@@H]1OC2(CCCCC2)O[C@@H]1C=O
InChIInChI=1S/C10H14O4/c11-6-8-9(7-12)14-10(13-8)4-2-1-3-5-10/h6-9H,1-5H2/t8-,9+
InChIKeyQOEQQRZSTPPGRQ-DTORHVGOSA-N
MW198.22 g/mol
LogP0.83
Rot. Bonds2

About (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde

(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde (PubChem CID 89064448) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde.

Molecular Properties

Compound Name(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
PubChem CID89064448
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
SMILESO=C[C@@H]1OC2(CCCCC2)O[C@@H]1C=O
InChIInChI=1S/C10H14O4/c11-6-8-9(7-12)14-10(13-8)4-2-1-3-5-10/h6-9H,1-5H2/t8-,9+
InChIKeyQOEQQRZSTPPGRQ-DTORHVGOSA-N
XLogP0.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-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

(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10958008
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
(3aR,5S,6S,6aR)-6-azidospiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-carbaldehyde
CID 122221741
1-oxaspiro[2.5]octane-2-carbaldehyde
CID 11137244
2-(2-methyl-1,4-dioxaspiro[4.5]decan-3-yl)acetaldehyde
CID 130035928
(3aR,6aS)-spiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 89101057
(2S,3R)-3-[(2R,3R)-3-[(1S)-1-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]-1,4-dioxaspiro[4.5]decan-2-yl]oxirane-2-carbaldehyde
CID 157384637
CID 131971311
CID 131971311
[(3aR,5S,6S,6aR)-5-formylspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-6-yl] benzoate
CID 165344826
methyl 2-[(1S,2S,6S,7R,9S)-7-formylspiro[3,5,8,13-tetraoxatricyclo[7.4.0.02,6]tridecane-4,1'-cyclohexane]-12-yl]acetate
CID 152875909
(3aR,4R,5S,6R,7S,7aS)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 125028313
(3aS,4R,5R,6S,7R,7aR)-spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,1'-cyclohexane]-4,5,6,7-tetrol
CID 26159467

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde?
The IUPAC name of (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde (CID 89064448) is (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde.
What is the SMILES notation for (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde?
The canonical SMILES for (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde is O=C[C@@H]1OC2(CCCCC2)O[C@@H]1C=O.
What is the InChIKey of (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde?
The InChIKey is QOEQQRZSTPPGRQ-DTORHVGOSA-N. The full InChI is InChI=1S/C10H14O4/c11-6-8-9(7-12)14-10(13-8)4-2-1-3-5-10/h6-9H,1-5H2/t8-,9+.
What are the key properties of (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde?
(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde has a molecular weight of 198.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde is sourced from PubChem (CID 89064448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).