1-(3-ethylcyclopentyl)pentan-3-one

C12H22O — CID 122412950

IUPAC1-(3-ethylcyclopentyl)pentan-3-one
SMILESCCC(=O)CCC1CCC(CC)C1
InChIInChI=1S/C12H22O/c1-3-10-5-6-11(9-10)7-8-12(13)4-2/h10-11H,3-9H2,1-2H3
InChIKeyRPDVQONUDBBFLN-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-ethylcyclopentyl)pentan-3-one

1-(3-ethylcyclopentyl)pentan-3-one (PubChem CID 122412950) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)pentan-3-one.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)pentan-3-one
PubChem CID122412950
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-(3-ethylcyclopentyl)pentan-3-one
SMILESCCC(=O)CCC1CCC(CC)C1
InChIInChI=1S/C12H22O/c1-3-10-5-6-11(9-10)7-8-12(13)4-2/h10-11H,3-9H2,1-2H3
InChIKeyRPDVQONUDBBFLN-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

copper;3-(4-ethylcyclohexyl)propanoate;3-(3-ethylcyclopentyl)propanoate
CID 71586776
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
1,3-diethylcyclopentane
CID 530396
1-(3-ethylcyclohexyl)-4,4-dimethylpentan-3-one
CID 64503603
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
1-(2-ethylcyclohexyl)pentan-3-one
CID 64520349
1-[4-[(4-propylcyclohexyl)oxymethyl]cyclohexyl]pentan-3-one
CID 70445131
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
4-(3-ethylcyclopentyl)-4-oxobutanoic acid
CID 66338074
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
1-(3-ethylcyclopentyl)tridecan-1-one
CID 65406595

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)pentan-3-one?
The IUPAC name of 1-(3-ethylcyclopentyl)pentan-3-one (CID 122412950) is 1-(3-ethylcyclopentyl)pentan-3-one.
What is the SMILES notation for 1-(3-ethylcyclopentyl)pentan-3-one?
The canonical SMILES for 1-(3-ethylcyclopentyl)pentan-3-one is CCC(=O)CCC1CCC(CC)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)pentan-3-one?
The InChIKey is RPDVQONUDBBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-3-10-5-6-11(9-10)7-8-12(13)4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)pentan-3-one?
1-(3-ethylcyclopentyl)pentan-3-one has a molecular weight of 182.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)pentan-3-one is sourced from PubChem (CID 122412950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).