2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal

C11H18O2 — CID 10241447

IUPAC2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
SMILESC[C@@H]1CCC(=O)[C@H]1CC(C)(C)C=O
InChIInChI=1S/C11H18O2/c1-8-4-5-10(13)9(8)6-11(2,3)7-12/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyIPCLIZDLVSRSTB-BDAKNGLRSA-N
MW182.26 g/mol
LogP2.22
Rot. Bonds3

About 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal

2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal (PubChem CID 10241447) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
PubChem CID10241447
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal
SMILESC[C@@H]1CCC(=O)[C@H]1CC(C)(C)C=O
InChIInChI=1S/C11H18O2/c1-8-4-5-10(13)9(8)6-11(2,3)7-12/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKeyIPCLIZDLVSRSTB-BDAKNGLRSA-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

2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
(3R)-3-methyl-2-(2-methylidenebutyl)cyclopentan-1-one
CID 117069569
3-methyl-2-(methylsulfonylmethyl)cyclopentan-1-one
CID 18738791
2-(3-hydroxypropyl)-3-methylcyclopentan-1-one
CID 130036338
2-but-3-ynyl-3-methylcyclopentan-1-one
CID 11275107
(E)-4-(2-methyl-6-oxocyclohexyl)but-2-enal
CID 130035786
2,2-dimethyl-3-(oxan-4-yl)propanal
CID 87406928
2-methanidyl-3-methylcyclopentan-1-one;uranium
CID 59889972
trans-(2R,3R)-3-tert-butyl-2-(2,2-dimethoxyethyl)cyclopentan-1-one
CID 131845461
3-(3,4-dimethylpyrrolidin-1-yl)-2,2-dimethylpropanal
CID 79183438
cis-(2R,3S)-2-[(3-hydroxyphenyl)methyl]-3-methylcyclopentan-1-one
CID 163487392
2,3,4-tris(hydroxymethyl)cyclohexan-1-one
CID 23200045

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal?
The IUPAC name of 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal (CID 10241447) is 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal.
What is the SMILES notation for 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal?
The canonical SMILES for 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal is C[C@@H]1CCC(=O)[C@H]1CC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal?
The InChIKey is IPCLIZDLVSRSTB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-4-5-10(13)9(8)6-11(2,3)7-12/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal?
2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal 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 2,2-dimethyl-3-[(1S,2R)-2-methyl-5-oxocyclopentyl]propanal is sourced from PubChem (CID 10241447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).