2-methoxy-3,4-dimethylcyclopent-2-en-1-one

C8H12O2 — CID 19871665

IUPAC2-methoxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(C)CC1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(9)8(10-3)6(5)2/h5H,4H2,1-3H3
InChIKeyKJHVHNGAALFSMP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About 2-methoxy-3,4-dimethylcyclopent-2-en-1-one

2-methoxy-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 19871665) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2-methoxy-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-3,4-dimethylcyclopent-2-en-1-one
PubChem CID19871665
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2-methoxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(C)CC1=O
InChIInChI=1S/C8H12O2/c1-5-4-7(9)8(10-3)6(5)2/h5H,4H2,1-3H3
InChIKeyKJHVHNGAALFSMP-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 528707
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CID 528704
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CID 155859146
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CID 12310244
CID 12310244
CID 112172
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CID 145720735
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CID 135080642
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CID 10630715
CID 10630715
CID 129652246
CID 129652246

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of 2-methoxy-3,4-dimethylcyclopent-2-en-1-one (CID 19871665) is 2-methoxy-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 2-methoxy-3,4-dimethylcyclopent-2-en-1-one is COC1=C(C)C(C)CC1=O.
What is the InChIKey of 2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is KJHVHNGAALFSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-4-7(9)8(10-3)6(5)2/h5H,4H2,1-3H3.
What are the key properties of 2-methoxy-3,4-dimethylcyclopent-2-en-1-one?
2-methoxy-3,4-dimethylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 19871665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).