6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran

C11H20S — CID 123659273

IUPAC6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran
SMILESCCCCCC1C=C(C)SCC1
InChIInChI=1S/C11H20S/c1-3-4-5-6-11-7-8-12-10(2)9-11/h9,11H,3-8H2,1-2H3
InChIKeyXFHVCTNQYUKAJH-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds4

About 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran

6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran (PubChem CID 123659273) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran
PubChem CID123659273
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran
SMILESCCCCCC1C=C(C)SCC1
InChIInChI=1S/C11H20S/c1-3-4-5-6-11-7-8-12-10(2)9-11/h9,11H,3-8H2,1-2H3
InChIKeyXFHVCTNQYUKAJH-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
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5-Cyclohexyl-2,3-dihydrothiophene
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5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
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2-Thiabicyclo[4.4.0]decene
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran (CID 123659273) is 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran is CCCCCC1C=C(C)SCC1.
What is the InChIKey of 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran?
The InChIKey is XFHVCTNQYUKAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-4-5-6-11-7-8-12-10(2)9-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran?
6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran has a molecular weight of 184.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pentyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 123659273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).