2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one

C9H14O2 — CID 19871669

IUPAC2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(C)C(C)C1=O
InChIInChI=1S/C9H14O2/c1-5-6(2)8(10)9(11-4)7(5)3/h5-6H,1-4H3
InChIKeyDSPQCJKLUUPNLO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.76
Rot. Bonds1

About 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one

2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one (PubChem CID 19871669) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one
PubChem CID19871669
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one
SMILESCOC1=C(C)C(C)C(C)C1=O
InChIInChI=1S/C9H14O2/c1-5-6(2)8(10)9(11-4)7(5)3/h5-6H,1-4H3
InChIKeyDSPQCJKLUUPNLO-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one?
The IUPAC name of 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one (CID 19871669) is 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one?
The canonical SMILES for 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one is COC1=C(C)C(C)C(C)C1=O.
What is the InChIKey of 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one?
The InChIKey is DSPQCJKLUUPNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6(2)8(10)9(11-4)7(5)3/h5-6H,1-4H3.
What are the key properties of 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one?
2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4,5-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 19871669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).