2-(2,2,3-trimethylcyclopentyl)acetaldehyde

C10H18O — CID 22414255

IUPAC2-(2,2,3-trimethylcyclopentyl)acetaldehyde
SMILESCC1CCC(CC=O)C1(C)C
InChIInChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyQHEPENBPYBTHHJ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.65
Rot. Bonds2

About 2-(2,2,3-trimethylcyclopentyl)acetaldehyde

2-(2,2,3-trimethylcyclopentyl)acetaldehyde (PubChem CID 22414255) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(2,2,3-trimethylcyclopentyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,2,3-trimethylcyclopentyl)acetaldehyde
PubChem CID22414255
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(2,2,3-trimethylcyclopentyl)acetaldehyde
SMILESCC1CCC(CC=O)C1(C)C
InChIInChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h7-9H,4-6H2,1-3H3
InChIKeyQHEPENBPYBTHHJ-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3-trimethylcyclopentyl)acetaldehyde?
The IUPAC name of 2-(2,2,3-trimethylcyclopentyl)acetaldehyde (CID 22414255) is 2-(2,2,3-trimethylcyclopentyl)acetaldehyde.
What is the SMILES notation for 2-(2,2,3-trimethylcyclopentyl)acetaldehyde?
The canonical SMILES for 2-(2,2,3-trimethylcyclopentyl)acetaldehyde is CC1CCC(CC=O)C1(C)C.
What is the InChIKey of 2-(2,2,3-trimethylcyclopentyl)acetaldehyde?
The InChIKey is QHEPENBPYBTHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(2,2,3-trimethylcyclopentyl)acetaldehyde?
2-(2,2,3-trimethylcyclopentyl)acetaldehyde has a molecular weight of 154.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3-trimethylcyclopentyl)acetaldehyde is sourced from PubChem (CID 22414255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).