2-cyclohexyl-2-hydroxyacetaldehyde

C8H14O2 — CID 12556905

IUPAC2-cyclohexyl-2-hydroxyacetaldehyde
SMILESO=CC(O)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2
InChIKeyGPICSMAPTRXDOH-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About 2-cyclohexyl-2-hydroxyacetaldehyde

2-cyclohexyl-2-hydroxyacetaldehyde (PubChem CID 12556905) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxyacetaldehyde
PubChem CID12556905
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-cyclohexyl-2-hydroxyacetaldehyde
SMILESO=CC(O)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2
InChIKeyGPICSMAPTRXDOH-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexyl-2-hydroxyacetic acid
CID 271989
(2R)-2-cyclohexyl-2-hydroxyacetic acid
CID 819914
(2s)-Cyclohexyl(hydroxy)acetic acid
CID 819912
2-Hydroxycyclohexanecarbaldehyde
CID 487881
4-(Hydroxymethyl)cyclohexanecarbaldehyde
CID 523023
Dodekahydrobenzoin
CID 10867944
1-Cyclohexyl-2-hydroxybutan-1-one
CID 10899121
1-Cyclohexyl-2-hydroxyethanone
CID 10920615
1-Hydroxycyclohexanecarbaldehyde
CID 12517167
2-(4-Hydroxycyclohexyl)acetaldehyde
CID 57063699
1-Propanone, 1-cyclohexyl-2-hydroxy-
CID 11073665
(2S,3S)-3-cyclohexyl-3-hydroxy-2-methylpropanal
CID 11286714

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxyacetaldehyde?
The IUPAC name of 2-cyclohexyl-2-hydroxyacetaldehyde (CID 12556905) is 2-cyclohexyl-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-hydroxyacetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-hydroxyacetaldehyde is O=CC(O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxyacetaldehyde?
The InChIKey is GPICSMAPTRXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2.
What are the key properties of 2-cyclohexyl-2-hydroxyacetaldehyde?
2-cyclohexyl-2-hydroxyacetaldehyde has a molecular weight of 142.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxyacetaldehyde is sourced from PubChem (CID 12556905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).