4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran

C10H16S — CID 13448818

IUPAC4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran
SMILESCC(C)=CC1CC(C)=CCS1
InChIInChI=1S/C10H16S/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
InChIKeyVLEWJLXONLJVGB-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.40
Rot. Bonds1

About 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran

4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran (PubChem CID 13448818) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran
PubChem CID13448818
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran
SMILESCC(C)=CC1CC(C)=CCS1
InChIInChI=1S/C10H16S/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3
InChIKeyVLEWJLXONLJVGB-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran (CID 13448818) is 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran is CC(C)=CC1CC(C)=CCS1.
What is the InChIKey of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran?
The InChIKey is VLEWJLXONLJVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3.
What are the key properties of 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran?
4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran has a molecular weight of 168.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 13448818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).