1-(4-oxobutyl)cyclopentane-1-carbaldehyde

C10H16O2 — CID 87203015

IUPAC1-(4-oxobutyl)cyclopentane-1-carbaldehyde
SMILESO=CCCCC1(C=O)CCCC1
InChIInChI=1S/C10H16O2/c11-8-4-3-7-10(9-12)5-1-2-6-10/h8-9H,1-7H2
InChIKeyWTQSXQMVFRVWJT-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds5

About 1-(4-oxobutyl)cyclopentane-1-carbaldehyde

1-(4-oxobutyl)cyclopentane-1-carbaldehyde (PubChem CID 87203015) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(4-oxobutyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-oxobutyl)cyclopentane-1-carbaldehyde
PubChem CID87203015
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(4-oxobutyl)cyclopentane-1-carbaldehyde
SMILESO=CCCCC1(C=O)CCCC1
InChIInChI=1S/C10H16O2/c11-8-4-3-7-10(9-12)5-1-2-6-10/h8-9H,1-7H2
InChIKeyWTQSXQMVFRVWJT-UHFFFAOYSA-N
XLogP2.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxobutyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(4-oxobutyl)cyclopentane-1-carbaldehyde (CID 87203015) is 1-(4-oxobutyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(4-oxobutyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(4-oxobutyl)cyclopentane-1-carbaldehyde is O=CCCCC1(C=O)CCCC1.
What is the InChIKey of 1-(4-oxobutyl)cyclopentane-1-carbaldehyde?
The InChIKey is WTQSXQMVFRVWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-8-4-3-7-10(9-12)5-1-2-6-10/h8-9H,1-7H2.
What are the key properties of 1-(4-oxobutyl)cyclopentane-1-carbaldehyde?
1-(4-oxobutyl)cyclopentane-1-carbaldehyde has a molecular weight of 168.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxobutyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 87203015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).