cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde

C6H8O2 — CID 59901887

IUPACcis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
SMILESO=C[C@@H]1CC[C@@H]1C=O
InChIInChI=1S/C6H8O2/c7-3-5-1-2-6(5)4-8/h3-6H,1-2H2/t5-,6+
InChIKeyNCUIVSIEOSOUQW-OLQVQODUSA-N
MW112.13 g/mol
LogP0.41
Rot. Bonds2

About cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde

cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde (PubChem CID 59901887) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde.

Molecular Properties

Compound Namecis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
PubChem CID59901887
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Namecis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
SMILESO=C[C@@H]1CC[C@@H]1C=O
InChIInChI=1S/C6H8O2/c7-3-5-1-2-6(5)4-8/h3-6H,1-2H2/t5-,6+
InChIKeyNCUIVSIEOSOUQW-OLQVQODUSA-N
XLogP0.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde?
The IUPAC name of cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde (CID 59901887) is cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde.
What is the SMILES notation for cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde?
The canonical SMILES for cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde is O=C[C@@H]1CC[C@@H]1C=O.
What is the InChIKey of cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde?
The InChIKey is NCUIVSIEOSOUQW-OLQVQODUSA-N. The full InChI is InChI=1S/C6H8O2/c7-3-5-1-2-6(5)4-8/h3-6H,1-2H2/t5-,6+.
What are the key properties of cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde?
cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde has a molecular weight of 112.13 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 cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde is sourced from PubChem (CID 59901887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).