1-(2-methyl-1-propoxycyclopentyl)ethanone

C11H20O2 — CID 83226617

IUPAC1-(2-methyl-1-propoxycyclopentyl)ethanone
SMILESCCCOC1(C(C)=O)CCCC1C
InChIInChI=1S/C11H20O2/c1-4-8-13-11(10(3)12)7-5-6-9(11)2/h9H,4-8H2,1-3H3
InChIKeyKWKZHPDGCJTTNZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.56
Rot. Bonds4

About 1-(2-methyl-1-propoxycyclopentyl)ethanone

1-(2-methyl-1-propoxycyclopentyl)ethanone (PubChem CID 83226617) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(2-methyl-1-propoxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-propoxycyclopentyl)ethanone
PubChem CID83226617
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name1-(2-methyl-1-propoxycyclopentyl)ethanone
SMILESCCCOC1(C(C)=O)CCCC1C
InChIInChI=1S/C11H20O2/c1-4-8-13-11(10(3)12)7-5-6-9(11)2/h9H,4-8H2,1-3H3
InChIKeyKWKZHPDGCJTTNZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1-propoxycyclopentyl)propan-1-one
CID 83226052
1-(1-propoxycyclobutyl)ethanone
CID 83224918
1-(3-methyl-1-propoxycyclopentyl)ethanone
CID 83226730
1-[(1S,2R)-1-hydroxy-2-methylcyclopentyl]ethanone
CID 171582069
1-(1-methoxy-2-methylcyclohexyl)butan-1-one
CID 83225703
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
1-(1-methoxy-2-methylcyclohexyl)nonan-1-one
CID 154113917
1-cyclohexyl-1-propoxypropan-2-one
CID 83224965
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
CID 57249010
CID 57249010
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propoxycyclopentyl)ethanone?
The IUPAC name of 1-(2-methyl-1-propoxycyclopentyl)ethanone (CID 83226617) is 1-(2-methyl-1-propoxycyclopentyl)ethanone.
What is the SMILES notation for 1-(2-methyl-1-propoxycyclopentyl)ethanone?
The canonical SMILES for 1-(2-methyl-1-propoxycyclopentyl)ethanone is CCCOC1(C(C)=O)CCCC1C.
What is the InChIKey of 1-(2-methyl-1-propoxycyclopentyl)ethanone?
The InChIKey is KWKZHPDGCJTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8-13-11(10(3)12)7-5-6-9(11)2/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-methyl-1-propoxycyclopentyl)ethanone?
1-(2-methyl-1-propoxycyclopentyl)ethanone has a molecular weight of 184.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propoxycyclopentyl)ethanone is sourced from PubChem (CID 83226617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).