1-(3-methoxycyclopentyl)ethanone

C8H14O2 — CID 140959253

IUPAC1-(3-methoxycyclopentyl)ethanone
SMILESCOC1CCC(C(C)=O)C1
InChIInChI=1S/C8H14O2/c1-6(9)7-3-4-8(5-7)10-2/h7-8H,3-5H2,1-2H3
InChIKeyURTINVWZKFLCON-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds2

About 1-(3-methoxycyclopentyl)ethanone

1-(3-methoxycyclopentyl)ethanone (PubChem CID 140959253) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)ethanone
PubChem CID140959253
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-(3-methoxycyclopentyl)ethanone
SMILESCOC1CCC(C(C)=O)C1
InChIInChI=1S/C8H14O2/c1-6(9)7-3-4-8(5-7)10-2/h7-8H,3-5H2,1-2H3
InChIKeyURTINVWZKFLCON-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
cis-[(1R,3R)-3-methoxycyclohexanecarbonyl] (1S,3R)-3-methoxycyclohexane-1-carboxylate
CID 125113199
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084
cis-(1S,3R)-3-methoxycyclohexane-1-carboxylic acid
CID 853156
methyl 5-acetyl-2-methoxycyclohexane-1-carboxylate
CID 71192390
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl 3-methoxycyclohexane-1-carboxylate
CID 22933793
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
(1R,2R,4S)-4-methoxy-2-methylcyclohexane-1-carboxylic acid
CID 125470813
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]ethanone
CID 93498647
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)ethanone?
The IUPAC name of 1-(3-methoxycyclopentyl)ethanone (CID 140959253) is 1-(3-methoxycyclopentyl)ethanone.
What is the SMILES notation for 1-(3-methoxycyclopentyl)ethanone?
The canonical SMILES for 1-(3-methoxycyclopentyl)ethanone is COC1CCC(C(C)=O)C1.
What is the InChIKey of 1-(3-methoxycyclopentyl)ethanone?
The InChIKey is URTINVWZKFLCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(9)7-3-4-8(5-7)10-2/h7-8H,3-5H2,1-2H3.
What are the key properties of 1-(3-methoxycyclopentyl)ethanone?
1-(3-methoxycyclopentyl)ethanone has a molecular weight of 142.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)ethanone is sourced from PubChem (CID 140959253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).