(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one

C9H14O2 — CID 135014768

IUPAC(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
SMILESCCO[C@@]1(C)CC=C(C)C1=O
InChIInChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyREDJYNSJODELFH-VIFPVBQESA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one

(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one (PubChem CID 135014768) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
PubChem CID135014768
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
SMILESCCO[C@@]1(C)CC=C(C)C1=O
InChIInChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3/t9-/m0/s1
InChIKeyREDJYNSJODELFH-VIFPVBQESA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 163195494
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
5-Ethoxy-2,5-dimethylcyclopent-2-en-1-one
CID 135014431
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
(4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 10106162
(3-Methyl-2-oxocyclopent-3-en-1-yl) acetate
CID 45083097
2,2,5-Trimethyl-4-prop-2-enylfuran-3-one
CID 85712556
(E)-5-methyl-5-(3-methylbutoxy)hept-2-en-4-one
CID 89033477
2,4-Dimethyl-4-(3-methylbutoxy)hex-1-en-3-one
CID 89076226
4-Ethyl-2-methyl-4-pentoxyhex-1-en-3-one
CID 89188364
4-Butoxy-4-ethyl-2-methylhex-1-en-3-one
CID 89190761
4-(3-Methoxy-3-methylbutoxy)-2,4-dimethylhex-1-en-3-one
CID 124101095

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The IUPAC name of (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one (CID 135014768) is (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one is CCO[C@@]1(C)CC=C(C)C1=O.
What is the InChIKey of (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
The InChIKey is REDJYNSJODELFH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-4-11-9(3)6-5-7(2)8(9)10/h5H,4,6H2,1-3H3/t9-/m0/s1.
What are the key properties of (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one?
(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 135014768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).