4-cyclopentyl-3-ethoxybutanal

C11H20O2 — CID 105441319

IUPAC4-cyclopentyl-3-ethoxybutanal
SMILESCCOC(CC=O)CC1CCCC1
InChIInChI=1S/C11H20O2/c1-2-13-11(7-8-12)9-10-5-3-4-6-10/h8,10-11H,2-7,9H2,1H3
InChIKeyZOIOLBYMEBFKFX-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds6

About 4-cyclopentyl-3-ethoxybutanal

4-cyclopentyl-3-ethoxybutanal (PubChem CID 105441319) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-cyclopentyl-3-ethoxybutanal.

Molecular Properties

Compound Name4-cyclopentyl-3-ethoxybutanal
PubChem CID105441319
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-cyclopentyl-3-ethoxybutanal
SMILESCCOC(CC=O)CC1CCCC1
InChIInChI=1S/C11H20O2/c1-2-13-11(7-8-12)9-10-5-3-4-6-10/h8,10-11H,2-7,9H2,1H3
InChIKeyZOIOLBYMEBFKFX-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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'}

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Related Compounds

4-cyclohexyl-3-ethoxybutanal
CID 105451746
2-ethoxypropylcyclohexane
CID 57126788
3,5-diethoxyhexanal
CID 154151455
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
2-cyclohexylpropanal;1,1-diethoxyethane;ethene
CID 88595952
[(1S)-1-ethoxyethyl]cyclohexane
CID 59678198
1-cyclohexyl-3-ethoxy-N-ethylpentan-2-amine
CID 116717017
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
3-cyclobutyl-2-ethoxy-N-propan-2-ylpropanamide
CID 21366338

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-ethoxybutanal?
The IUPAC name of 4-cyclopentyl-3-ethoxybutanal (CID 105441319) is 4-cyclopentyl-3-ethoxybutanal.
What is the SMILES notation for 4-cyclopentyl-3-ethoxybutanal?
The canonical SMILES for 4-cyclopentyl-3-ethoxybutanal is CCOC(CC=O)CC1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-ethoxybutanal?
The InChIKey is ZOIOLBYMEBFKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-13-11(7-8-12)9-10-5-3-4-6-10/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 4-cyclopentyl-3-ethoxybutanal?
4-cyclopentyl-3-ethoxybutanal has a molecular weight of 184.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-ethoxybutanal is sourced from PubChem (CID 105441319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).