2-methylcyclohex-3-ene-1,2-dicarbaldehyde

C9H12O2 — CID 54012378

IUPAC2-methylcyclohex-3-ene-1,2-dicarbaldehyde
SMILESCC1(C=O)C=CCCC1C=O
InChIInChI=1S/C9H12O2/c1-9(7-11)5-3-2-4-8(9)6-10/h3,5-8H,2,4H2,1H3
InChIKeyBXUODJCUZLXTHJ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.36
Rot. Bonds2

About 2-methylcyclohex-3-ene-1,2-dicarbaldehyde

2-methylcyclohex-3-ene-1,2-dicarbaldehyde (PubChem CID 54012378) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-methylcyclohex-3-ene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name2-methylcyclohex-3-ene-1,2-dicarbaldehyde
PubChem CID54012378
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-methylcyclohex-3-ene-1,2-dicarbaldehyde
SMILESCC1(C=O)C=CCCC1C=O
InChIInChI=1S/C9H12O2/c1-9(7-11)5-3-2-4-8(9)6-10/h3,5-8H,2,4H2,1H3
InChIKeyBXUODJCUZLXTHJ-UHFFFAOYSA-N
XLogP1.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.36
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 2-methylcyclohex-3-ene-1,2-dicarbaldehyde?
The IUPAC name of 2-methylcyclohex-3-ene-1,2-dicarbaldehyde (CID 54012378) is 2-methylcyclohex-3-ene-1,2-dicarbaldehyde.
What is the SMILES notation for 2-methylcyclohex-3-ene-1,2-dicarbaldehyde?
The canonical SMILES for 2-methylcyclohex-3-ene-1,2-dicarbaldehyde is CC1(C=O)C=CCCC1C=O.
What is the InChIKey of 2-methylcyclohex-3-ene-1,2-dicarbaldehyde?
The InChIKey is BXUODJCUZLXTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-9(7-11)5-3-2-4-8(9)6-10/h3,5-8H,2,4H2,1H3.
What are the key properties of 2-methylcyclohex-3-ene-1,2-dicarbaldehyde?
2-methylcyclohex-3-ene-1,2-dicarbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohex-3-ene-1,2-dicarbaldehyde is sourced from PubChem (CID 54012378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).