4-cyclopentylbenzaldehyde

C12H14O — CID 3016187

IUPAC4-cyclopentylbenzaldehyde
SMILESO=Cc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H14O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-9,11H,1-4H2
InChIKeyPYEFFBOZWVJKEU-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.16
Rot. Bonds2

About 4-cyclopentylbenzaldehyde

4-cyclopentylbenzaldehyde (PubChem CID 3016187) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-cyclopentylbenzaldehyde.

Molecular Properties

Compound Name4-cyclopentylbenzaldehyde
PubChem CID3016187
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-cyclopentylbenzaldehyde
SMILESO=Cc1ccc(C2CCCC2)cc1
InChIInChI=1S/C12H14O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-9,11H,1-4H2
InChIKeyPYEFFBOZWVJKEU-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.16
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 4-cyclopentylbenzaldehyde?
The IUPAC name of 4-cyclopentylbenzaldehyde (CID 3016187) is 4-cyclopentylbenzaldehyde.
What is the SMILES notation for 4-cyclopentylbenzaldehyde?
The canonical SMILES for 4-cyclopentylbenzaldehyde is O=Cc1ccc(C2CCCC2)cc1.
What is the InChIKey of 4-cyclopentylbenzaldehyde?
The InChIKey is PYEFFBOZWVJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-9-10-5-7-12(8-6-10)11-3-1-2-4-11/h5-9,11H,1-4H2.
What are the key properties of 4-cyclopentylbenzaldehyde?
4-cyclopentylbenzaldehyde has a molecular weight of 174.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylbenzaldehyde is sourced from PubChem (CID 3016187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).