2-(cyclohexylmethoxymethyl)benzaldehyde

C15H20O2 — CID 91656697

IUPAC2-(cyclohexylmethoxymethyl)benzaldehyde
SMILESO=Cc1ccccc1COCC1CCCCC1
InChIInChI=1S/C15H20O2/c16-10-14-8-4-5-9-15(14)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13H,1-3,6-7,11-12H2
InChIKeyUOTNRKWZMLXDDS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.60
Rot. Bonds5

About 2-(cyclohexylmethoxymethyl)benzaldehyde

2-(cyclohexylmethoxymethyl)benzaldehyde (PubChem CID 91656697) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(cyclohexylmethoxymethyl)benzaldehyde.

Molecular Properties

Compound Name2-(cyclohexylmethoxymethyl)benzaldehyde
PubChem CID91656697
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(cyclohexylmethoxymethyl)benzaldehyde
SMILESO=Cc1ccccc1COCC1CCCCC1
InChIInChI=1S/C15H20O2/c16-10-14-8-4-5-9-15(14)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13H,1-3,6-7,11-12H2
InChIKeyUOTNRKWZMLXDDS-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
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 2-(cyclohexylmethoxymethyl)benzaldehyde?
The IUPAC name of 2-(cyclohexylmethoxymethyl)benzaldehyde (CID 91656697) is 2-(cyclohexylmethoxymethyl)benzaldehyde.
What is the SMILES notation for 2-(cyclohexylmethoxymethyl)benzaldehyde?
The canonical SMILES for 2-(cyclohexylmethoxymethyl)benzaldehyde is O=Cc1ccccc1COCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxymethyl)benzaldehyde?
The InChIKey is UOTNRKWZMLXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-10-14-8-4-5-9-15(14)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13H,1-3,6-7,11-12H2.
What are the key properties of 2-(cyclohexylmethoxymethyl)benzaldehyde?
2-(cyclohexylmethoxymethyl)benzaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxymethyl)benzaldehyde is sourced from PubChem (CID 91656697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).