2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde

C13H22O3 — CID 173324171

IUPAC2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde
SMILESO=CC(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C13H22O3/c14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h10-13H,1-9H2
InChIKeyDOZRYBDQIJRIQX-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde

2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde (PubChem CID 173324171) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde
PubChem CID173324171
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde
SMILESO=CC(OC1CCCCO1)C1CCCCC1
InChIInChI=1S/C13H22O3/c14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h10-13H,1-9H2
InChIKeyDOZRYBDQIJRIQX-UHFFFAOYSA-N
XLogP2.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde?
The IUPAC name of 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde (CID 173324171) is 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde.
What is the SMILES notation for 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde?
The canonical SMILES for 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde is O=CC(OC1CCCCO1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde?
The InChIKey is DOZRYBDQIJRIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-10-12(11-6-2-1-3-7-11)16-13-8-4-5-9-15-13/h10-13H,1-9H2.
What are the key properties of 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde?
2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde has a molecular weight of 226.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(oxan-2-yloxy)acetaldehyde is sourced from PubChem (CID 173324171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).