2-(1-methylcyclopentyl)acetaldehyde

C8H14O — CID 19906530

IUPAC2-(1-methylcyclopentyl)acetaldehyde
SMILESCC1(CC=O)CCCC1
InChIInChI=1S/C8H14O/c1-8(6-7-9)4-2-3-5-8/h7H,2-6H2,1H3
InChIKeyOHVOYTTXSZBYHG-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds2

About 2-(1-methylcyclopentyl)acetaldehyde

2-(1-methylcyclopentyl)acetaldehyde (PubChem CID 19906530) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-(1-methylcyclopentyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methylcyclopentyl)acetaldehyde
PubChem CID19906530
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-(1-methylcyclopentyl)acetaldehyde
SMILESCC1(CC=O)CCCC1
InChIInChI=1S/C8H14O/c1-8(6-7-9)4-2-3-5-8/h7H,2-6H2,1H3
InChIKeyOHVOYTTXSZBYHG-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
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-(1-methylcyclopentyl)acetaldehyde?
The IUPAC name of 2-(1-methylcyclopentyl)acetaldehyde (CID 19906530) is 2-(1-methylcyclopentyl)acetaldehyde.
What is the SMILES notation for 2-(1-methylcyclopentyl)acetaldehyde?
The canonical SMILES for 2-(1-methylcyclopentyl)acetaldehyde is CC1(CC=O)CCCC1.
What is the InChIKey of 2-(1-methylcyclopentyl)acetaldehyde?
The InChIKey is OHVOYTTXSZBYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(6-7-9)4-2-3-5-8/h7H,2-6H2,1H3.
What are the key properties of 2-(1-methylcyclopentyl)acetaldehyde?
2-(1-methylcyclopentyl)acetaldehyde has a molecular weight of 126.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopentyl)acetaldehyde is sourced from PubChem (CID 19906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).