cyclohexanol;oxaldehydic acid

C8H14O4 — CID 155713163

IUPACcyclohexanol;oxaldehydic acid
SMILESO=CC(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.C2H2O3/c7-6-4-2-1-3-5-6;3-1-2(4)5/h6-7H,1-5H2;1H,(H,4,5)
InChIKeyWWLWDEZAOPZJLK-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.58
Rot. Bonds1

About cyclohexanol;oxaldehydic acid

cyclohexanol;oxaldehydic acid (PubChem CID 155713163) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is cyclohexanol;oxaldehydic acid.

Molecular Properties

Compound Namecyclohexanol;oxaldehydic acid
PubChem CID155713163
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Namecyclohexanol;oxaldehydic acid
SMILESO=CC(=O)O.OC1CCCCC1
InChIInChI=1S/C6H12O.C2H2O3/c7-6-4-2-1-3-5-6;3-1-2(4)5/h6-7H,1-5H2;1H,(H,4,5)
InChIKeyWWLWDEZAOPZJLK-UHFFFAOYSA-N
XLogP0.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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cyclohexanol;gallane
CID 172997547
bis(carbon dioxide);bis(cyclohexanol)
CID 159091312
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CID 174532304
4-hydroxycyclododecane-1-carboxylic acid
CID 23321574
CID 157040931
CID 157040931
cyclohexanol;methanol
CID 18353815
pentakis(cyclopentanol);hafnium
CID 142301948

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;oxaldehydic acid?
The IUPAC name of cyclohexanol;oxaldehydic acid (CID 155713163) is cyclohexanol;oxaldehydic acid.
What is the SMILES notation for cyclohexanol;oxaldehydic acid?
The canonical SMILES for cyclohexanol;oxaldehydic acid is O=CC(=O)O.OC1CCCCC1.
What is the InChIKey of cyclohexanol;oxaldehydic acid?
The InChIKey is WWLWDEZAOPZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C2H2O3/c7-6-4-2-1-3-5-6;3-1-2(4)5/h6-7H,1-5H2;1H,(H,4,5).
What are the key properties of cyclohexanol;oxaldehydic acid?
cyclohexanol;oxaldehydic acid has a molecular weight of 174.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;oxaldehydic acid is sourced from PubChem (CID 155713163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).