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

C10H16O3 — CID 10241483

IUPAC(4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCO[C@@]1(C)C(C)=C(C)C(=O)[C@@]1(C)O
InChIInChI=1S/C10H16O3/c1-6-7(2)10(4,13-5)9(3,12)8(6)11/h12H,1-5H3/t9-,10+/m1/s1
InChIKeyPZLPLHZTIWFWJF-ZJUUUORDSA-N
MW184.23 g/mol
LogP1.06
Rot. Bonds1

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

(4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (PubChem CID 10241483) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
PubChem CID10241483
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one
SMILESCO[C@@]1(C)C(C)=C(C)C(=O)[C@@]1(C)O
InChIInChI=1S/C10H16O3/c1-6-7(2)10(4,13-5)9(3,12)8(6)11/h12H,1-5H3/t9-,10+/m1/s1
InChIKeyPZLPLHZTIWFWJF-ZJUUUORDSA-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 (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The IUPAC name of (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one (CID 10241483) is (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is CO[C@@]1(C)C(C)=C(C)C(=O)[C@@]1(C)O.
What is the InChIKey of (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
The InChIKey is PZLPLHZTIWFWJF-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-7(2)10(4,13-5)9(3,12)8(6)11/h12H,1-5H3/t9-,10+/m1/s1.
What are the key properties of (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one?
(4S,5S)-5-hydroxy-4-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 (4S,5S)-5-hydroxy-4-methoxy-2,3,4,5-tetramethylcyclopent-2-en-1-one is sourced from PubChem (CID 10241483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).