1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde

C10H14O2 — CID 163399254

IUPAC1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde
SMILESCC1=CC(C)(C=O)CCC1C=O
InChIInChI=1S/C10H14O2/c1-8-5-10(2,7-12)4-3-9(8)6-11/h5-7,9H,3-4H2,1-2H3
InChIKeyMHVIVLLFJSYZDC-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.75
Rot. Bonds2

About 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde

1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde (PubChem CID 163399254) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde.

Molecular Properties

Compound Name1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde
PubChem CID163399254
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde
SMILESCC1=CC(C)(C=O)CCC1C=O
InChIInChI=1S/C10H14O2/c1-8-5-10(2,7-12)4-3-9(8)6-11/h5-7,9H,3-4H2,1-2H3
InChIKeyMHVIVLLFJSYZDC-UHFFFAOYSA-N
XLogP1.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.75
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 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde?
The IUPAC name of 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde (CID 163399254) is 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde.
What is the SMILES notation for 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde?
The canonical SMILES for 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde is CC1=CC(C)(C=O)CCC1C=O.
What is the InChIKey of 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde?
The InChIKey is MHVIVLLFJSYZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-5-10(2,7-12)4-3-9(8)6-11/h5-7,9H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde?
1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde has a molecular weight of 166.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohex-2-ene-1,4-dicarbaldehyde is sourced from PubChem (CID 163399254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).