3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran

C10H18S — CID 167270429

IUPAC3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran
SMILESCC(C)(C)CC1C=CCSC1
InChIInChI=1S/C10H18S/c1-10(2,3)7-9-5-4-6-11-8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyRRANIBDCAOQXCX-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.34
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran

3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran (PubChem CID 167270429) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran
PubChem CID167270429
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran
SMILESCC(C)(C)CC1C=CCSC1
InChIInChI=1S/C10H18S/c1-10(2,3)7-9-5-4-6-11-8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyRRANIBDCAOQXCX-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran?
The IUPAC name of 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran (CID 167270429) is 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran is CC(C)(C)CC1C=CCSC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran?
The InChIKey is RRANIBDCAOQXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-10(2,3)7-9-5-4-6-11-8-9/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran?
3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran has a molecular weight of 170.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 167270429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).