2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde

C11H18O2 — CID 86213229

IUPAC2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
SMILESCC(C)C1CCC(=O)C1(C)CC=O
InChIInChI=1S/C11H18O2/c1-8(2)9-4-5-10(13)11(9,3)6-7-12/h7-9H,4-6H2,1-3H3
InChIKeyOOCOGLHHNVSEOH-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.22
Rot. Bonds3

About 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde

2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde (PubChem CID 86213229) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
PubChem CID86213229
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde
SMILESCC(C)C1CCC(=O)C1(C)CC=O
InChIInChI=1S/C11H18O2/c1-8(2)9-4-5-10(13)11(9,3)6-7-12/h7-9H,4-6H2,1-3H3
InChIKeyOOCOGLHHNVSEOH-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(2S,3S)-2-methyl-3-propan-2-yl-2-prop-2-enylcyclopentan-1-one
CID 11171336
cis-(2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 11424115
2-[(Z)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 101389500
cis-(2R,3R)-3-[(2R)-1-hydroxyhex-5-en-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 53381704
3-[(3R,3aR,5aR,6S,9aS,9bS)-3a,6-dimethyl-7-oxo-3-propan-2-yl-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanenitrile
CID 158127449
(2R,3R,5S)-5-deuterio-2-[(E)-5-iodopent-4-enyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
CID 136913167
(6S,6aS)-6a-methyl-6-propan-2-yl-1,4,5,6-tetrahydropentalen-2-one
CID 11564556
(1S,7aS)-7a-methyl-1-propan-2-yl-2,3,6,7-tetrahydro-1H-inden-5-one
CID 101484250
cis-(2R,3S)-2-methyl-3-[(1S)-1-(3-methylbutoxy)ethyl]-2-(3-oxobutyl)cyclopentan-1-one
CID 11076912
5-methyl-2-propan-2-yl-6-oxabicyclo[3.1.0]hexane-1-carbaldehyde
CID 580362
trans-(2S,3R)-3-hydroxy-2-methyl-2-prop-2-enylcyclohexan-1-one
CID 10725788
2-but-3-enyl-3-hydroxy-2-methylcyclopentan-1-one
CID 85299271

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde?
The IUPAC name of 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde (CID 86213229) is 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde.
What is the SMILES notation for 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde?
The canonical SMILES for 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde is CC(C)C1CCC(=O)C1(C)CC=O.
What is the InChIKey of 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde?
The InChIKey is OOCOGLHHNVSEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(2)9-4-5-10(13)11(9,3)6-7-12/h7-9H,4-6H2,1-3H3.
What are the key properties of 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde?
2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxo-5-propan-2-ylcyclopentyl)acetaldehyde is sourced from PubChem (CID 86213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).