cyclohex-3-ene-1,1-dicarbaldehyde

C8H10O2 — CID 15324205

IUPACcyclohex-3-ene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)CC=CCC1
InChIInChI=1S/C8H10O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,6-7H,3-5H2
InChIKeyVGXUPQWNQPJJFT-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.11
Rot. Bonds2

About cyclohex-3-ene-1,1-dicarbaldehyde

cyclohex-3-ene-1,1-dicarbaldehyde (PubChem CID 15324205) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is cyclohex-3-ene-1,1-dicarbaldehyde.

Molecular Properties

Compound Namecyclohex-3-ene-1,1-dicarbaldehyde
PubChem CID15324205
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Namecyclohex-3-ene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)CC=CCC1
InChIInChI=1S/C8H10O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,6-7H,3-5H2
InChIKeyVGXUPQWNQPJJFT-UHFFFAOYSA-N
XLogP1.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-ene-1,1-dicarbaldehyde?
The IUPAC name of cyclohex-3-ene-1,1-dicarbaldehyde (CID 15324205) is cyclohex-3-ene-1,1-dicarbaldehyde.
What is the SMILES notation for cyclohex-3-ene-1,1-dicarbaldehyde?
The canonical SMILES for cyclohex-3-ene-1,1-dicarbaldehyde is O=CC1(C=O)CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1,1-dicarbaldehyde?
The InChIKey is VGXUPQWNQPJJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-8(7-10)4-2-1-3-5-8/h1-2,6-7H,3-5H2.
What are the key properties of cyclohex-3-ene-1,1-dicarbaldehyde?
cyclohex-3-ene-1,1-dicarbaldehyde has a molecular weight of 138.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1,1-dicarbaldehyde is sourced from PubChem (CID 15324205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).