6-pentyl-2,3-dihydrothiopyran-4-one

C10H16OS — CID 154712049

IUPAC6-pentyl-2,3-dihydrothiopyran-4-one
SMILESCCCCCC1=CC(=O)CCS1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-10-8-9(11)6-7-12-10/h8H,2-7H2,1H3
InChIKeyYDNPIRSQYLFULR-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.16
Rot. Bonds4

About 6-pentyl-2,3-dihydrothiopyran-4-one

6-pentyl-2,3-dihydrothiopyran-4-one (PubChem CID 154712049) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 6-pentyl-2,3-dihydrothiopyran-4-one.

Molecular Properties

Compound Name6-pentyl-2,3-dihydrothiopyran-4-one
PubChem CID154712049
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name6-pentyl-2,3-dihydrothiopyran-4-one
SMILESCCCCCC1=CC(=O)CCS1
InChIInChI=1S/C10H16OS/c1-2-3-4-5-10-8-9(11)6-7-12-10/h8H,2-7H2,1H3
InChIKeyYDNPIRSQYLFULR-UHFFFAOYSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-2,3-dihydrothiopyran-4-one?
The IUPAC name of 6-pentyl-2,3-dihydrothiopyran-4-one (CID 154712049) is 6-pentyl-2,3-dihydrothiopyran-4-one.
What is the SMILES notation for 6-pentyl-2,3-dihydrothiopyran-4-one?
The canonical SMILES for 6-pentyl-2,3-dihydrothiopyran-4-one is CCCCCC1=CC(=O)CCS1.
What is the InChIKey of 6-pentyl-2,3-dihydrothiopyran-4-one?
The InChIKey is YDNPIRSQYLFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-5-10-8-9(11)6-7-12-10/h8H,2-7H2,1H3.
What are the key properties of 6-pentyl-2,3-dihydrothiopyran-4-one?
6-pentyl-2,3-dihydrothiopyran-4-one has a molecular weight of 184.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-2,3-dihydrothiopyran-4-one is sourced from PubChem (CID 154712049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).