(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde

C7H8O2 — CID 134841635

IUPAC(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde
SMILESO=C[C@H]1CC12C[C@@H]2C=O
InChIInChI=1S/C7H8O2/c8-3-5-1-7(5)2-6(7)4-9/h3-6H,1-2H2/t5-,6-,7?/m1/s1
InChIKeyFPDHSTICPSYLCK-CQMSUOBXSA-N
MW124.14 g/mol
LogP0.41
Rot. Bonds2

About (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde

(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde (PubChem CID 134841635) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde.

Molecular Properties

Compound Name(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde
PubChem CID134841635
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde
SMILESO=C[C@H]1CC12C[C@@H]2C=O
InChIInChI=1S/C7H8O2/c8-3-5-1-7(5)2-6(7)4-9/h3-6H,1-2H2/t5-,6-,7?/m1/s1
InChIKeyFPDHSTICPSYLCK-CQMSUOBXSA-N
XLogP0.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde?
The IUPAC name of (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde (CID 134841635) is (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde.
What is the SMILES notation for (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde?
The canonical SMILES for (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde is O=C[C@H]1CC12C[C@@H]2C=O.
What is the InChIKey of (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde?
The InChIKey is FPDHSTICPSYLCK-CQMSUOBXSA-N. The full InChI is InChI=1S/C7H8O2/c8-3-5-1-7(5)2-6(7)4-9/h3-6H,1-2H2/t5-,6-,7?/m1/s1.
What are the key properties of (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde?
(2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-spiro[2.2]pentane-2,5-dicarbaldehyde is sourced from PubChem (CID 134841635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).