2-ethyl-5-methylcyclopentane-1-carbaldehyde

C9H16O — CID 53404840

IUPAC2-ethyl-5-methylcyclopentane-1-carbaldehyde
SMILESCCC1CCC(C)C1C=O
InChIInChI=1S/C9H16O/c1-3-8-5-4-7(2)9(8)6-10/h6-9H,3-5H2,1-2H3
InChIKeyTWPSKUFLOADAND-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds2

About 2-ethyl-5-methylcyclopentane-1-carbaldehyde

2-ethyl-5-methylcyclopentane-1-carbaldehyde (PubChem CID 53404840) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethyl-5-methylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-5-methylcyclopentane-1-carbaldehyde
PubChem CID53404840
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-ethyl-5-methylcyclopentane-1-carbaldehyde
SMILESCCC1CCC(C)C1C=O
InChIInChI=1S/C9H16O/c1-3-8-5-4-7(2)9(8)6-10/h6-9H,3-5H2,1-2H3
InChIKeyTWPSKUFLOADAND-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
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-ethyl-5-methylcyclopentane-1-carbaldehyde?
The IUPAC name of 2-ethyl-5-methylcyclopentane-1-carbaldehyde (CID 53404840) is 2-ethyl-5-methylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-ethyl-5-methylcyclopentane-1-carbaldehyde?
The canonical SMILES for 2-ethyl-5-methylcyclopentane-1-carbaldehyde is CCC1CCC(C)C1C=O.
What is the InChIKey of 2-ethyl-5-methylcyclopentane-1-carbaldehyde?
The InChIKey is TWPSKUFLOADAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-5-4-7(2)9(8)6-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-5-methylcyclopentane-1-carbaldehyde?
2-ethyl-5-methylcyclopentane-1-carbaldehyde has a molecular weight of 140.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 53404840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).