3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde

C17H24O3 — CID 63861606

IUPAC3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde
SMILESCCOc1cccc(C=O)c1OC1CCCCC1CC
InChIInChI=1S/C17H24O3/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11-13,15H,3-6,8,10H2,1-2H3
InChIKeyQSMQSHYCXIUUJU-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.25
Rot. Bonds6

About 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde

3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde (PubChem CID 63861606) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde
PubChem CID63861606
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde
SMILESCCOc1cccc(C=O)c1OC1CCCCC1CC
InChIInChI=1S/C17H24O3/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11-13,15H,3-6,8,10H2,1-2H3
InChIKeyQSMQSHYCXIUUJU-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.25
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 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde?
The IUPAC name of 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde (CID 63861606) is 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde.
What is the SMILES notation for 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde?
The canonical SMILES for 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde is CCOc1cccc(C=O)c1OC1CCCCC1CC.
What is the InChIKey of 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde?
The InChIKey is QSMQSHYCXIUUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11-13,15H,3-6,8,10H2,1-2H3.
What are the key properties of 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde?
3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde has a molecular weight of 276.38 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde is sourced from PubChem (CID 63861606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).