3-(2-ethylcyclohexyl)oxypropanal

C11H20O2 — CID 63041156

IUPAC3-(2-ethylcyclohexyl)oxypropanal
SMILESCCC1CCCCC1OCCC=O
InChIInChI=1S/C11H20O2/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h8,10-11H,2-7,9H2,1H3
InChIKeyGUBOUXIRJWPJPE-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds5

About 3-(2-ethylcyclohexyl)oxypropanal

3-(2-ethylcyclohexyl)oxypropanal (PubChem CID 63041156) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-ethylcyclohexyl)oxypropanal.

Molecular Properties

Compound Name3-(2-ethylcyclohexyl)oxypropanal
PubChem CID63041156
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-ethylcyclohexyl)oxypropanal
SMILESCCC1CCCCC1OCCC=O
InChIInChI=1S/C11H20O2/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h8,10-11H,2-7,9H2,1H3
InChIKeyGUBOUXIRJWPJPE-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 62444924
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
N-[2-(2-ethylcyclohexyl)oxyethyl]-3-propan-2-yloxypropan-1-amine
CID 62566897
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
CID 63074126
1-ethyl-2-hydroperoxycyclohexane
CID 175085860

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylcyclohexyl)oxypropanal?
The IUPAC name of 3-(2-ethylcyclohexyl)oxypropanal (CID 63041156) is 3-(2-ethylcyclohexyl)oxypropanal.
What is the SMILES notation for 3-(2-ethylcyclohexyl)oxypropanal?
The canonical SMILES for 3-(2-ethylcyclohexyl)oxypropanal is CCC1CCCCC1OCCC=O.
What is the InChIKey of 3-(2-ethylcyclohexyl)oxypropanal?
The InChIKey is GUBOUXIRJWPJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-10-6-3-4-7-11(10)13-9-5-8-12/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 3-(2-ethylcyclohexyl)oxypropanal?
3-(2-ethylcyclohexyl)oxypropanal has a molecular weight of 184.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylcyclohexyl)oxypropanal is sourced from PubChem (CID 63041156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).