(2S)-2-cyclohexyl-2-hydroxyacetaldehyde

C8H14O2 — CID 12556906

IUPAC(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
SMILESO=C[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2/t8-/m1/s1
InChIKeyGPICSMAPTRXDOH-MRVPVSSYSA-N
MW142.20 g/mol
LogP1.13
Rot. Bonds2

About (2S)-2-cyclohexyl-2-hydroxyacetaldehyde

(2S)-2-cyclohexyl-2-hydroxyacetaldehyde (PubChem CID 12556906) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2S)-2-cyclohexyl-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
PubChem CID12556906
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2S)-2-cyclohexyl-2-hydroxyacetaldehyde
SMILESO=C[C@@H](O)C1CCCCC1
InChIInChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2/t8-/m1/s1
InChIKeyGPICSMAPTRXDOH-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexyl-2-hydroxyacetaldehyde?
The IUPAC name of (2S)-2-cyclohexyl-2-hydroxyacetaldehyde (CID 12556906) is (2S)-2-cyclohexyl-2-hydroxyacetaldehyde.
What is the SMILES notation for (2S)-2-cyclohexyl-2-hydroxyacetaldehyde?
The canonical SMILES for (2S)-2-cyclohexyl-2-hydroxyacetaldehyde is O=C[C@@H](O)C1CCCCC1.
What is the InChIKey of (2S)-2-cyclohexyl-2-hydroxyacetaldehyde?
The InChIKey is GPICSMAPTRXDOH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h6-8,10H,1-5H2/t8-/m1/s1.
What are the key properties of (2S)-2-cyclohexyl-2-hydroxyacetaldehyde?
(2S)-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 (2S)-2-cyclohexyl-2-hydroxyacetaldehyde is sourced from PubChem (CID 12556906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).