(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one

C9H12OS2 — CID 10726728

IUPAC(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](C2SCCCS2)C1
InChIInChI=1S/C9H12OS2/c10-8-3-2-7(6-8)9-11-4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-/m0/s1
InChIKeyUYAISHDHBMTHIN-ZETCQYMHSA-N
MW200.33 g/mol
LogP2.33
Rot. Bonds1

About (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one

(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one (PubChem CID 10726728) has the molecular formula C9H12OS2 and a molecular weight of 200.33 g/mol. Its IUPAC name is (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one
PubChem CID10726728
Molecular FormulaC9H12OS2
Molecular Weight200.33 g/mol
Exact Mass200.03
IUPAC Name(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one
SMILESO=C1C=C[C@H](C2SCCCS2)C1
InChIInChI=1S/C9H12OS2/c10-8-3-2-7(6-8)9-11-4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-/m0/s1
InChIKeyUYAISHDHBMTHIN-ZETCQYMHSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one (CID 10726728) is (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one is O=C1C=C[C@H](C2SCCCS2)C1.
What is the InChIKey of (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one?
The InChIKey is UYAISHDHBMTHIN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12OS2/c10-8-3-2-7(6-8)9-11-4-1-5-12-9/h2-3,7,9H,1,4-6H2/t7-/m0/s1.
What are the key properties of (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one?
(4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one has a molecular weight of 200.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(1,3-dithian-2-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 10726728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).