cyclohexa-3,5-diene-1,2-dicarbaldehyde

C8H8O2 — CID 89390135

IUPACcyclohexa-3,5-diene-1,2-dicarbaldehyde
SMILESO=CC1C=CC=CC1C=O
InChIInChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-8H
InChIKeyLBKMEBHFWYJROT-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.74
Rot. Bonds2

About cyclohexa-3,5-diene-1,2-dicarbaldehyde

cyclohexa-3,5-diene-1,2-dicarbaldehyde (PubChem CID 89390135) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-dicarbaldehyde.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-dicarbaldehyde
PubChem CID89390135
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Namecyclohexa-3,5-diene-1,2-dicarbaldehyde
SMILESO=CC1C=CC=CC1C=O
InChIInChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-8H
InChIKeyLBKMEBHFWYJROT-UHFFFAOYSA-N
XLogP0.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.74
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 cyclohexa-3,5-diene-1,2-dicarbaldehyde?
The IUPAC name of cyclohexa-3,5-diene-1,2-dicarbaldehyde (CID 89390135) is cyclohexa-3,5-diene-1,2-dicarbaldehyde.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-dicarbaldehyde?
The canonical SMILES for cyclohexa-3,5-diene-1,2-dicarbaldehyde is O=CC1C=CC=CC1C=O.
What is the InChIKey of cyclohexa-3,5-diene-1,2-dicarbaldehyde?
The InChIKey is LBKMEBHFWYJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c9-5-7-3-1-2-4-8(7)6-10/h1-8H.
What are the key properties of cyclohexa-3,5-diene-1,2-dicarbaldehyde?
cyclohexa-3,5-diene-1,2-dicarbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-dicarbaldehyde is sourced from PubChem (CID 89390135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).