2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde

C9H14O — CID 178083186

IUPAC2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde
SMILESCCC1(CC=O)CC=CC1
InChIInChI=1S/C9H14O/c1-2-9(7-8-10)5-3-4-6-9/h3-4,8H,2,5-7H2,1H3
InChIKeyOWRBXPUPVYQCTO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds3

About 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde

2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde (PubChem CID 178083186) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde
PubChem CID178083186
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde
SMILESCCC1(CC=O)CC=CC1
InChIInChI=1S/C9H14O/c1-2-9(7-8-10)5-3-4-6-9/h3-4,8H,2,5-7H2,1H3
InChIKeyOWRBXPUPVYQCTO-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Safranal
CID 61041
2,5-Dimethyl-2-vinyl-4-hexenal
CID 92018
Ivy carbaldehyde
CID 3034463
1-Vinyl-3-cyclohexenecarbaldehyde
CID 89525526
5-Octenal, (5E)-
CID 5283327
cis-5-Octenal
CID 6435869
4-(1-Methylethyl)-1-cyclohexene-4-carboxaldehyde
CID 124202117
Cyclopent-3-ene-1-carbaldehyde
CID 5314123
1-Methyl-3-cyclohexene-1-carbaldehyde
CID 565407
3,3-Dimethylhex-5-enal
CID 11062394
6-Octenal, 3-ethenyl-3,7-dimethyl-
CID 118179
5-Heptenal, 2,2,6-trimethyl-
CID 104140

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde?
The IUPAC name of 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde (CID 178083186) is 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde.
What is the SMILES notation for 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde?
The canonical SMILES for 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde is CCC1(CC=O)CC=CC1.
What is the InChIKey of 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde?
The InChIKey is OWRBXPUPVYQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-2-9(7-8-10)5-3-4-6-9/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde?
2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde has a molecular weight of 138.21 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylcyclopent-3-en-1-yl)acetaldehyde is sourced from PubChem (CID 178083186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).