(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'}

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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).