3-(3,5-dimethylcyclohexyl)oxybenzaldehyde

C15H20O2 — CID 64736330

IUPAC3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
SMILESCC1CC(C)CC(Oc2cccc(C=O)c2)C1
InChIInChI=1S/C15H20O2/c1-11-6-12(2)8-15(7-11)17-14-5-3-4-13(9-14)10-16/h3-5,9-12,15H,6-8H2,1-2H3
InChIKeyLHNSRYDNRZPLFD-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.70
Rot. Bonds3

About 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde

3-(3,5-dimethylcyclohexyl)oxybenzaldehyde (PubChem CID 64736330) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
PubChem CID64736330
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
SMILESCC1CC(C)CC(Oc2cccc(C=O)c2)C1
InChIInChI=1S/C15H20O2/c1-11-6-12(2)8-15(7-11)17-14-5-3-4-13(9-14)10-16/h3-5,9-12,15H,6-8H2,1-2H3
InChIKeyLHNSRYDNRZPLFD-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.70
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 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde (CID 64736330) is 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde is CC1CC(C)CC(Oc2cccc(C=O)c2)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde?
The InChIKey is LHNSRYDNRZPLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-6-12(2)8-15(7-11)17-14-5-3-4-13(9-14)10-16/h3-5,9-12,15H,6-8H2,1-2H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde?
3-(3,5-dimethylcyclohexyl)oxybenzaldehyde has a molecular weight of 232.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 64736330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).