5-ethylcyclopentene-1-carbaldehyde

C8H12O — CID 580057

IUPAC5-ethylcyclopentene-1-carbaldehyde
SMILESCCC1CCC=C1C=O
InChIInChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3
InChIKeyBXRHTYIYAZHIHF-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds2

About 5-ethylcyclopentene-1-carbaldehyde

5-ethylcyclopentene-1-carbaldehyde (PubChem CID 580057) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 5-ethylcyclopentene-1-carbaldehyde.

Molecular Properties

Compound Name5-ethylcyclopentene-1-carbaldehyde
PubChem CID580057
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name5-ethylcyclopentene-1-carbaldehyde
SMILESCCC1CCC=C1C=O
InChIInChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3
InChIKeyBXRHTYIYAZHIHF-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Citronellal
CID 7794
Perillaldehyde
CID 16441
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
alpha-Campholenal
CID 1252759
Perillaldehyde, (-)-
CID 2724159
(S)-(-)-Citronellal
CID 443157
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
2-Ethylidenehexanal
CID 5463946
Perillaldehyde, (+)-
CID 1548901
Phellandral
CID 89488
2-Butyl-2-octenal
CID 5362697
3,7-Dimethyl-2-methylene-6-octenal, (+-)-
CID 90776

Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclopentene-1-carbaldehyde?
The IUPAC name of 5-ethylcyclopentene-1-carbaldehyde (CID 580057) is 5-ethylcyclopentene-1-carbaldehyde.
What is the SMILES notation for 5-ethylcyclopentene-1-carbaldehyde?
The canonical SMILES for 5-ethylcyclopentene-1-carbaldehyde is CCC1CCC=C1C=O.
What is the InChIKey of 5-ethylcyclopentene-1-carbaldehyde?
The InChIKey is BXRHTYIYAZHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-7-4-3-5-8(7)6-9/h5-7H,2-4H2,1H3.
What are the key properties of 5-ethylcyclopentene-1-carbaldehyde?
5-ethylcyclopentene-1-carbaldehyde has a molecular weight of 124.18 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclopentene-1-carbaldehyde is sourced from PubChem (CID 580057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).