1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one

C13H20O2 — CID 67371002

IUPAC1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1C=CC=C1CCOC
InChIInChI=1S/C13H20O2/c1-3-4-8-13(14)12-7-5-6-11(12)9-10-15-2/h5-7,12H,3-4,8-10H2,1-2H3
InChIKeyXYBWAOFFULTKHV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.89
Rot. Bonds7

About 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one

1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one (PubChem CID 67371002) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
PubChem CID67371002
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one
SMILESCCCCC(=O)C1C=CC=C1CCOC
InChIInChI=1S/C13H20O2/c1-3-4-8-13(14)12-7-5-6-11(12)9-10-15-2/h5-7,12H,3-4,8-10H2,1-2H3
InChIKeyXYBWAOFFULTKHV-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-1-[(3S)-oxolan-3-yl]hex-4-en-2-one
CID 122546436
1-[2-(2-Methoxyethyl)-6-methylcyclohexa-2,5-dien-1-yl]decan-1-one
CID 154197003
trans-7-Methoxymethyl-2-menthen-6-one
CID 129802683
1-[2-(3-Methoxyprop-1-en-2-yl)cyclopenten-1-yl]-2-methylbut-3-en-1-one
CID 138974955
(E)-8-methoxy-6,10,14-trimethylpentadec-5-en-2-one
CID 9814715
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]-2-methylpropan-1-one
CID 67368131
3-Ethyl-1-[2-(2-methoxyethyl)-6-methylcyclohexa-2,5-dien-1-yl]heptan-1-one
CID 67368140
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368362
1-[1-(Methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]hexan-1-one
CID 67368364
1-[2-(2-Methoxyethyl)cyclohexa-2,5-dien-1-yl]propan-1-one
CID 67368459
1-[2-(2-Methoxyethyl)-5-methylcyclopenta-2,4-dien-1-yl]nonan-1-one
CID 67368883
1-[2-(2-Methoxyethyl)cyclopenta-2,4-dien-1-yl]decan-1-one
CID 67368946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one?
The IUPAC name of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one (CID 67371002) is 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one?
The canonical SMILES for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one is CCCCC(=O)C1C=CC=C1CCOC.
What is the InChIKey of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one?
The InChIKey is XYBWAOFFULTKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-8-13(14)12-7-5-6-11(12)9-10-15-2/h5-7,12H,3-4,8-10H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one?
1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethyl)cyclopenta-2,4-dien-1-yl]pentan-1-one is sourced from PubChem (CID 67371002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).