(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one

C8H12O2 — CID 164680505

IUPAC(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one
SMILESCO[C@@H]1CC(C)=C(C)C1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(10-3)8(9)6(5)2/h7H,4H2,1-3H3/t7-/m1/s1
InChIKeyJKSYIUUIFMFZOY-SSDOTTSWSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds1

About (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one

(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one (PubChem CID 164680505) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one
PubChem CID164680505
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one
SMILESCO[C@@H]1CC(C)=C(C)C1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(10-3)8(9)6(5)2/h7H,4H2,1-3H3/t7-/m1/s1
InChIKeyJKSYIUUIFMFZOY-SSDOTTSWSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

4-Acetyl-2,5-dimethyl-3(2H)-furanone
CID 53426546
5-Hydroxy-2,3-dimethylcyclopent-2-enone
CID 11116065
2-Cyclopenten-1-one, 5-hydroxy-2,3-dimethyl-
CID 534047
1-(4-Acetyl-5-methyl-2,3-dihydrofuran-2-yl)ethanone
CID 45086451
(3,4-Dimethyl-2-oxocyclopent-3-en-1-yl) acetate
CID 85837162
5-Ethyl-2,4-dimethylfuran-3(2H)-one
CID 23330664
2-Acetyl-4,5-dimethylfuran-3-one
CID 70418702
1-(4-Methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one
CID 91015823
6-Methoxy-3-methylcyclohex-2-en-1-one
CID 139765944
1-Methoxy-3,4-dimethyloct-3-en-2-one
CID 139990059
2-Butyl-4,5-dimethylfuran-3-one
CID 11994860
5-Ethoxy-3-ethyl-2-methylcyclopent-2-en-1-one
CID 12141335

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one?
The IUPAC name of (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one (CID 164680505) is (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one is CO[C@@H]1CC(C)=C(C)C1=O.
What is the InChIKey of (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one?
The InChIKey is JKSYIUUIFMFZOY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-4-7(10-3)8(9)6(5)2/h7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one?
(5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxy-2,3-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 164680505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).