2-[(2-oxocyclopentyl)methyl]decanal

C16H28O2 — CID 15889850

IUPAC2-[(2-oxocyclopentyl)methyl]decanal
SMILESCCCCCCCCC(C=O)CC1CCCC1=O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-9-14(13-17)12-15-10-8-11-16(15)18/h13-15H,2-12H2,1H3
InChIKeyYUGNQPJYPHQSLT-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.31
Rot. Bonds10

About 2-[(2-oxocyclopentyl)methyl]decanal

2-[(2-oxocyclopentyl)methyl]decanal (PubChem CID 15889850) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(2-oxocyclopentyl)methyl]decanal.

Molecular Properties

Compound Name2-[(2-oxocyclopentyl)methyl]decanal
PubChem CID15889850
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[(2-oxocyclopentyl)methyl]decanal
SMILESCCCCCCCCC(C=O)CC1CCCC1=O
InChIInChI=1S/C16H28O2/c1-2-3-4-5-6-7-9-14(13-17)12-15-10-8-11-16(15)18/h13-15H,2-12H2,1H3
InChIKeyYUGNQPJYPHQSLT-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.31
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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Related Compounds

(2S)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
CID 10589923
(2R)-2-[[(1R)-2-oxocyclooctyl]methyl]decanal
CID 10780179
2-[(5-tert-butyl-2-oxocyclohexyl)methyl]decanal
CID 10853318
2-decylcyclopentan-1-one
CID 12823821
formic acid;2-pentylcyclohexan-1-one
CID 174877274
2-nonylcyclododecan-1-one
CID 14296722
(2S)-2-[(E)-oct-2-enyl]cyclopentan-1-one
CID 76967590
2-ethylheptadecanal
CID 18629573
(2R)-2-pentylcyclohexan-1-one
CID 86310435
2-butylcyclopentan-1-one;methanamine
CID 174247706
2-butylcyclopentan-1-one;N,N-dimethylmethanamine
CID 145289923
2-hexadecylbutanedial
CID 23443177

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxocyclopentyl)methyl]decanal?
The IUPAC name of 2-[(2-oxocyclopentyl)methyl]decanal (CID 15889850) is 2-[(2-oxocyclopentyl)methyl]decanal.
What is the SMILES notation for 2-[(2-oxocyclopentyl)methyl]decanal?
The canonical SMILES for 2-[(2-oxocyclopentyl)methyl]decanal is CCCCCCCCC(C=O)CC1CCCC1=O.
What is the InChIKey of 2-[(2-oxocyclopentyl)methyl]decanal?
The InChIKey is YUGNQPJYPHQSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-2-3-4-5-6-7-9-14(13-17)12-15-10-8-11-16(15)18/h13-15H,2-12H2,1H3.
What are the key properties of 2-[(2-oxocyclopentyl)methyl]decanal?
2-[(2-oxocyclopentyl)methyl]decanal has a molecular weight of 252.40 g/mol, XLogP of 4.31, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxocyclopentyl)methyl]decanal is sourced from PubChem (CID 15889850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).