1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde

C9H10O3 — CID 150206567

IUPAC1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
SMILESCC1=CCC(O)(C=O)C(C=O)=C1
InChIInChI=1S/C9H10O3/c1-7-2-3-9(12,6-11)8(4-7)5-10/h2,4-6,12H,3H2,1H3
InChIKeyFQPMKFWMBFWFNH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.39
Rot. Bonds2

About 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde

1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde (PubChem CID 150206567) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde.

Molecular Properties

Compound Name1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
PubChem CID150206567
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
SMILESCC1=CCC(O)(C=O)C(C=O)=C1
InChIInChI=1S/C9H10O3/c1-7-2-3-9(12,6-11)8(4-7)5-10/h2,4-6,12H,3H2,1H3
InChIKeyFQPMKFWMBFWFNH-UHFFFAOYSA-N
XLogP0.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(1-hydroxy-4-methylcyclohexa-2,4-dien-1-yl)methanone
CID 175474190
4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde
CID 141496247
6-amino-3,6-dimethylcyclohexa-1,3-diene-1-carboxylic acid
CID 163928155
6-fluoro-1,3,6-trimethylcyclohexa-1,3-diene
CID 143519479
3,6-dimethylcyclohepta-1,3,6-triene-1-carbaldehyde
CID 144708324
2,6-dihydroxy-1,4-dimethylcyclohexa-2,4-diene-1-carbaldehyde
CID 131713934
1-hydroxy-6-(methylamino)-2H-naphthalene-1-carbaldehyde
CID 142713155
3-methylcyclopent-3-ene-1,1-dicarbaldehyde
CID 89079539
6,6-ditert-butyl-3-methylcyclohexa-1,3-dien-1-ol
CID 154169989
6-tert-butyl-1-hydroxy-4-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 139799810
1-formyl-3-methyl-2-methylidenecyclopent-3-ene-1-carboxylic acid
CID 134853055
2-hydroxy-2-phenyl-1,3-dihydropyrrole-5-carbaldehyde
CID 175288540

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde?
The IUPAC name of 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde (CID 150206567) is 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde.
What is the SMILES notation for 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde?
The canonical SMILES for 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde is CC1=CCC(O)(C=O)C(C=O)=C1.
What is the InChIKey of 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde?
The InChIKey is FQPMKFWMBFWFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7-2-3-9(12,6-11)8(4-7)5-10/h2,4-6,12H,3H2,1H3.
What are the key properties of 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde?
1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde is sourced from PubChem (CID 150206567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).