5-hydroxycyclohexane-1,3-dicarbaldehyde

C8H12O3 — CID 89231600

IUPAC5-hydroxycyclohexane-1,3-dicarbaldehyde
SMILESO=CC1CC(O)CC(C=O)C1
InChIInChI=1S/C8H12O3/c9-4-6-1-7(5-10)3-8(11)2-6/h4-8,11H,1-3H2
InChIKeyXXTSYZUCBCSBSJ-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.16
Rot. Bonds2

About 5-hydroxycyclohexane-1,3-dicarbaldehyde

5-hydroxycyclohexane-1,3-dicarbaldehyde (PubChem CID 89231600) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 5-hydroxycyclohexane-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-hydroxycyclohexane-1,3-dicarbaldehyde
PubChem CID89231600
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name5-hydroxycyclohexane-1,3-dicarbaldehyde
SMILESO=CC1CC(O)CC(C=O)C1
InChIInChI=1S/C8H12O3/c9-4-6-1-7(5-10)3-8(11)2-6/h4-8,11H,1-3H2
InChIKeyXXTSYZUCBCSBSJ-UHFFFAOYSA-N
XLogP0.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxycyclohexane-1,3-dicarbaldehyde?
The IUPAC name of 5-hydroxycyclohexane-1,3-dicarbaldehyde (CID 89231600) is 5-hydroxycyclohexane-1,3-dicarbaldehyde.
What is the SMILES notation for 5-hydroxycyclohexane-1,3-dicarbaldehyde?
The canonical SMILES for 5-hydroxycyclohexane-1,3-dicarbaldehyde is O=CC1CC(O)CC(C=O)C1.
What is the InChIKey of 5-hydroxycyclohexane-1,3-dicarbaldehyde?
The InChIKey is XXTSYZUCBCSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c9-4-6-1-7(5-10)3-8(11)2-6/h4-8,11H,1-3H2.
What are the key properties of 5-hydroxycyclohexane-1,3-dicarbaldehyde?
5-hydroxycyclohexane-1,3-dicarbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxycyclohexane-1,3-dicarbaldehyde is sourced from PubChem (CID 89231600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).