3,3-di(propan-2-yl)-2,4-dihydrothiopyran

C11H20S — CID 58055924

IUPAC3,3-di(propan-2-yl)-2,4-dihydrothiopyran
SMILESCC(C)C1(C(C)C)CC=CSC1
InChIInChI=1S/C11H20S/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyWTCFRNZLLHEUQT-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.94
Rot. Bonds2

About 3,3-di(propan-2-yl)-2,4-dihydrothiopyran

3,3-di(propan-2-yl)-2,4-dihydrothiopyran (PubChem CID 58055924) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2,4-dihydrothiopyran.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2,4-dihydrothiopyran
PubChem CID58055924
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name3,3-di(propan-2-yl)-2,4-dihydrothiopyran
SMILESCC(C)C1(C(C)C)CC=CSC1
InChIInChI=1S/C11H20S/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyWTCFRNZLLHEUQT-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydrothiopyran?
The IUPAC name of 3,3-di(propan-2-yl)-2,4-dihydrothiopyran (CID 58055924) is 3,3-di(propan-2-yl)-2,4-dihydrothiopyran.
What is the SMILES notation for 3,3-di(propan-2-yl)-2,4-dihydrothiopyran?
The canonical SMILES for 3,3-di(propan-2-yl)-2,4-dihydrothiopyran is CC(C)C1(C(C)C)CC=CSC1.
What is the InChIKey of 3,3-di(propan-2-yl)-2,4-dihydrothiopyran?
The InChIKey is WTCFRNZLLHEUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-9(2)11(10(3)4)6-5-7-12-8-11/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2,4-dihydrothiopyran?
3,3-di(propan-2-yl)-2,4-dihydrothiopyran has a molecular weight of 184.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2,4-dihydrothiopyran is sourced from PubChem (CID 58055924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).