4-methylcyclohexene-1,2-dicarbaldehyde

C9H12O2 — CID 147376792

IUPAC4-methylcyclohexene-1,2-dicarbaldehyde
SMILESCC1CCC(C=O)=C(C=O)C1
InChIInChI=1S/C9H12O2/c1-7-2-3-8(5-10)9(4-7)6-11/h5-7H,2-4H2,1H3
InChIKeyDKEBLLGHXTXBQY-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.50
Rot. Bonds2

About 4-methylcyclohexene-1,2-dicarbaldehyde

4-methylcyclohexene-1,2-dicarbaldehyde (PubChem CID 147376792) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-methylcyclohexene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name4-methylcyclohexene-1,2-dicarbaldehyde
PubChem CID147376792
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-methylcyclohexene-1,2-dicarbaldehyde
SMILESCC1CCC(C=O)=C(C=O)C1
InChIInChI=1S/C9H12O2/c1-7-2-3-8(5-10)9(4-7)6-11/h5-7H,2-4H2,1H3
InChIKeyDKEBLLGHXTXBQY-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethylcyclohexene-1-carbaldehyde
CID 23505473
(2-formyl-4-methylcyclohexen-1-yl) thiocyanate
CID 12736589
5-methyl-2-(2-phenylethynyl)cyclohexene-1-carbaldehyde
CID 102324634
2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
CID 143209894
ethane;3-methylcyclopentan-1-one
CID 142926670
(5R)-5-methylcyclohexene-1-carbaldehyde
CID 54558151
(3E)-2-chloro-3-(hydroxymethylidene)-5-methylcyclohexene-1-carbaldehyde
CID 59188280
(1R)-1-methyl-3-methylidenecyclopentane
CID 58904772
4-methoxy-7-methyl-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 135008237
bis(but-2-ene);1-methyl-3-propylidenecyclopentane
CID 173439667
3-(3-formyl-7-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylprop-2-enoic acid
CID 162860026
2-(4-methylcyclohexylidene)propanal
CID 23103336

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexene-1,2-dicarbaldehyde?
The IUPAC name of 4-methylcyclohexene-1,2-dicarbaldehyde (CID 147376792) is 4-methylcyclohexene-1,2-dicarbaldehyde.
What is the SMILES notation for 4-methylcyclohexene-1,2-dicarbaldehyde?
The canonical SMILES for 4-methylcyclohexene-1,2-dicarbaldehyde is CC1CCC(C=O)=C(C=O)C1.
What is the InChIKey of 4-methylcyclohexene-1,2-dicarbaldehyde?
The InChIKey is DKEBLLGHXTXBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7-2-3-8(5-10)9(4-7)6-11/h5-7H,2-4H2,1H3.
What are the key properties of 4-methylcyclohexene-1,2-dicarbaldehyde?
4-methylcyclohexene-1,2-dicarbaldehyde has a molecular weight of 152.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexene-1,2-dicarbaldehyde is sourced from PubChem (CID 147376792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).