2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde

C10H16O — CID 15413242

IUPAC2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde
SMILESCC1(C)C=CCC1(C)CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(9,3)7-8-11/h4-5,8H,6-7H2,1-3H3
InChIKeyAIZSHOZHOLKAGD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde

2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde (PubChem CID 15413242) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde
PubChem CID15413242
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde
SMILESCC1(C)C=CCC1(C)CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(9,3)7-8-11/h4-5,8H,6-7H2,1-3H3
InChIKeyAIZSHOZHOLKAGD-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
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'}

Analyze 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-Campholenal
CID 1252759
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
Ivy carbaldehyde
CID 3034463
1-Vinyl-3-cyclohexenecarbaldehyde
CID 89525526
6-Methyl-3-cyclohexene-1-carboxaldehyde
CID 101550
(R,R)-chrysanthemal
CID 6432223
4-(1-Methylethyl)-1-cyclohexene-4-carboxaldehyde
CID 124202117
(S)-2,2,3-trimethylcyclopent-3-ene-1-acetaldehyde
CID 90969
3-Ethyl-3,7-dimethyl-6-octenal
CID 118180
2,6-Dimethyl-3-cyclohexene-1-carbaldehyde
CID 228010
(1alpha,2alpha,5alpha)-2,5-Dimethylcyclohex-3-ene-1-carbaldehyde
CID 56842481
1-Methyl-3-cyclohexene-1-carbaldehyde
CID 565407

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde?
The IUPAC name of 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde (CID 15413242) is 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde.
What is the SMILES notation for 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde?
The canonical SMILES for 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde is CC1(C)C=CCC1(C)CC=O.
What is the InChIKey of 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde?
The InChIKey is AIZSHOZHOLKAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)5-4-6-10(9,3)7-8-11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde?
2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylcyclopent-3-en-1-yl)acetaldehyde is sourced from PubChem (CID 15413242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).