(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde

C10H10O2 — CID 10702135

IUPAC(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
SMILESO=CC1=C(C=O)[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C10H10O2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h1-2,5-8H,3-4H2/t7-,8+
InChIKeyYWQKONLUTRCJRI-OCAPTIKFSA-N
MW162.19 g/mol
LogP1.28
Rot. Bonds2

About (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde

(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde (PubChem CID 10702135) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
PubChem CID10702135
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
SMILESO=CC1=C(C=O)[C@H]2C=C[C@@H]1CC2
InChIInChI=1S/C10H10O2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h1-2,5-8H,3-4H2/t7-,8+
InChIKeyYWQKONLUTRCJRI-OCAPTIKFSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde?
The IUPAC name of (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde (CID 10702135) is (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde.
What is the SMILES notation for (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde?
The canonical SMILES for (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde is O=CC1=C(C=O)[C@H]2C=C[C@@H]1CC2.
What is the InChIKey of (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde?
The InChIKey is YWQKONLUTRCJRI-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H10O2/c11-5-9-7-1-2-8(4-3-7)10(9)6-12/h1-2,5-8H,3-4H2/t7-,8+.
What are the key properties of (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde?
(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde has a molecular weight of 162.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde is sourced from PubChem (CID 10702135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).