2-ethyl-4-methoxycyclopent-2-en-1-one

C8H12O2 — CID 59962734

IUPAC2-ethyl-4-methoxycyclopent-2-en-1-one
SMILESCCC1=CC(OC)CC1=O
InChIInChI=1S/C8H12O2/c1-3-6-4-7(10-2)5-8(6)9/h4,7H,3,5H2,1-2H3
InChIKeyVCKKHOAAHDKTHG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 2-ethyl-4-methoxycyclopent-2-en-1-one

2-ethyl-4-methoxycyclopent-2-en-1-one (PubChem CID 59962734) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-ethyl-4-methoxycyclopent-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-4-methoxycyclopent-2-en-1-one
PubChem CID59962734
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-ethyl-4-methoxycyclopent-2-en-1-one
SMILESCCC1=CC(OC)CC1=O
InChIInChI=1S/C8H12O2/c1-3-6-4-7(10-2)5-8(6)9/h4,7H,3,5H2,1-2H3
InChIKeyVCKKHOAAHDKTHG-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
2-Cyclopenten-1-one, 4-methoxy-
CID 543069
Dihydroechinofuran
CID 13850222
(6E,10E,11aR)-3,6,10-trimethyl-5,8,9,11a-tetrahydrocyclodeca[b]furan-2,4-dione
CID 163012608
2,6-Dimethyl-3-methoxymethyl-p-benzoquinone
CID 6430513
mollisolactone A
CID 54421891
2-[(2S)-4-(4-methylpent-3-enyl)-2,5-dihydrofuran-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 163003273
(5-Oxocyclopenten-1-yl)methyl acetate
CID 328560
3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl 3-methylbut-2-enoate
CID 225871
(4S)-4-methoxy-2-methylcyclopent-2-en-1-one
CID 11018868
2-Cyclohexen-1-one, 2-[(acetyloxy)methyl]-
CID 10997430
2-Dimethoxymethyl-2-cyclopentenone
CID 12698312

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxycyclopent-2-en-1-one?
The IUPAC name of 2-ethyl-4-methoxycyclopent-2-en-1-one (CID 59962734) is 2-ethyl-4-methoxycyclopent-2-en-1-one.
What is the SMILES notation for 2-ethyl-4-methoxycyclopent-2-en-1-one?
The canonical SMILES for 2-ethyl-4-methoxycyclopent-2-en-1-one is CCC1=CC(OC)CC1=O.
What is the InChIKey of 2-ethyl-4-methoxycyclopent-2-en-1-one?
The InChIKey is VCKKHOAAHDKTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-6-4-7(10-2)5-8(6)9/h4,7H,3,5H2,1-2H3.
What are the key properties of 2-ethyl-4-methoxycyclopent-2-en-1-one?
2-ethyl-4-methoxycyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxycyclopent-2-en-1-one is sourced from PubChem (CID 59962734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).