4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde

C8H8O3 — CID 141496247

IUPAC4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde
SMILESO=CC1=CCC(O)(C=O)C=C1
InChIInChI=1S/C8H8O3/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3,5-6,11H,4H2
InChIKeyBIRYSDWTOFCDBV-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.00
Rot. Bonds2

About 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde

4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde (PubChem CID 141496247) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde.

Molecular Properties

Compound Name4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde
PubChem CID141496247
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde
SMILESO=CC1=CCC(O)(C=O)C=C1
InChIInChI=1S/C8H8O3/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3,5-6,11H,4H2
InChIKeyBIRYSDWTOFCDBV-UHFFFAOYSA-N
XLogP0.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.00
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

4-tert-butyl-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 163363398
1-fluoro-4-formylcyclohexa-2,4-diene-1-carbonitrile
CID 87720974
5-hydroxycyclohexa-1,3-diene-1,3,5-tricarbaldehyde
CID 175513369
4-prop-1-enylcyclohexa-1,5-diene-1,4-diol
CID 66591586
1-hydroxy-4-methylcyclohexa-2,4-diene-1,2-dicarbaldehyde
CID 150206567
7a-hydroxy-3aH-1,3-benzodioxole-5-carbaldehyde
CID 140662479
4-[4,4-bis(dimethylamino)cyclohexa-1,5-dien-1-yl]but-3-en-2-one
CID 70260588
3-(4-hydroxy-4-methylcyclohexa-1,5-dien-1-yl)-1-phenylprop-2-en-1-one
CID 174431067
(E)-1,3-bis(4,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-one
CID 18339304
4-hydroxy-3,4-dimethoxycyclohexa-1,5-diene-1-carbaldehyde
CID 86650355
3-(4-methoxy-4-methylcyclohexa-1,5-dien-1-yl)prop-2-enoic acid
CID 142791124
1,5-dihydroxycyclohexa-2,4-diene-1-carbaldehyde;hydrate
CID 88824641

Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde?
The IUPAC name of 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde (CID 141496247) is 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde.
What is the SMILES notation for 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde?
The canonical SMILES for 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde is O=CC1=CCC(O)(C=O)C=C1.
What is the InChIKey of 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde?
The InChIKey is BIRYSDWTOFCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-5-7-1-3-8(11,6-10)4-2-7/h1-3,5-6,11H,4H2.
What are the key properties of 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde?
4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde has a molecular weight of 152.15 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxycyclohexa-1,5-diene-1,4-dicarbaldehyde is sourced from PubChem (CID 141496247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).