4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one

C10H16O3 — CID 24977229

IUPAC4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCOC1(C)C(=O)C(C)=C(C)C1(C)O
InChIInChI=1S/C10H16O3/c1-6-7(2)9(3,12)10(4,13-5)8(6)11/h12H,1-5H3
InChIKeyKVUYTWLGGPCJNI-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.06
Rot. Bonds1

About 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one

4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (PubChem CID 24977229) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
PubChem CID24977229
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCOC1(C)C(=O)C(C)=C(C)C1(C)O
InChIInChI=1S/C10H16O3/c1-6-7(2)9(3,12)10(4,13-5)8(6)11/h12H,1-5H3
InChIKeyKVUYTWLGGPCJNI-UHFFFAOYSA-N
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (CID 24977229) is 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is COC1(C)C(=O)C(C)=C(C)C1(C)O.
What is the InChIKey of 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The InChIKey is KVUYTWLGGPCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-7(2)9(3,12)10(4,13-5)8(6)11/h12H,1-5H3.
What are the key properties of 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one has a molecular weight of 184.23 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is sourced from PubChem (CID 24977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).