2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde

C12H20O4 — CID 24976388

IUPAC2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde
SMILESCCC1=C(C=O)CCC1OCOCCOC
InChIInChI=1S/C12H20O4/c1-3-11-10(8-13)4-5-12(11)16-9-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3
InChIKeyYBZMZIDIPZPGIF-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.69
Rot. Bonds8

About 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde

2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde (PubChem CID 24976388) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde
PubChem CID24976388
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde
SMILESCCC1=C(C=O)CCC1OCOCCOC
InChIInChI=1S/C12H20O4/c1-3-11-10(8-13)4-5-12(11)16-9-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3
InChIKeyYBZMZIDIPZPGIF-UHFFFAOYSA-N
XLogP1.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(8-Methyl-1,4-dioxaspiro[4.4]non-8-en-9-yl)propanal
CID 86297050
(Z)-4-(2-ethyl-1,3-dioxolan-2-yl)-5-methylhept-4-enal
CID 145047316
(2S)-2-[(1S)-1-(methoxymethoxy)pentyl]-4-methyl-5-oxo-2H-furan-3-carbaldehyde
CID 10682498
(3S,5R)-3,5-bis(methoxymethoxy)-2-methylcyclohexene-1-carbaldehyde
CID 50993473
9-Ethyl-1,4-dioxaspiro[4.4]non-8-ene-8-carbaldehyde
CID 85585673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde?
The IUPAC name of 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde (CID 24976388) is 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde?
The canonical SMILES for 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde is CCC1=C(C=O)CCC1OCOCCOC.
What is the InChIKey of 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde?
The InChIKey is YBZMZIDIPZPGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-3-11-10(8-13)4-5-12(11)16-9-15-7-6-14-2/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde?
2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(2-methoxyethoxymethoxy)cyclopentene-1-carbaldehyde is sourced from PubChem (CID 24976388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).