4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran

C9H16S — CID 89041207

IUPAC4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran
SMILESCC1=C(C(C)C)CSCC1
InChIInChI=1S/C9H16S/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3
InChIKeyCEXREFQHTVQXGQ-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.10
Rot. Bonds1

About 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran

4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran (PubChem CID 89041207) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran
PubChem CID89041207
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran
SMILESCC1=C(C(C)C)CSCC1
InChIInChI=1S/C9H16S/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3
InChIKeyCEXREFQHTVQXGQ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.10
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-5-propan-2-yl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran (CID 89041207) is 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran is CC1=C(C(C)C)CSCC1.
What is the InChIKey of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran?
The InChIKey is CEXREFQHTVQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7(2)9-6-10-5-4-8(9)3/h7H,4-6H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran?
4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran has a molecular weight of 156.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 89041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).