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

C11H20S — CID 58055974

IUPAC4,4-di(propan-2-yl)-2,3-dihydrothiopyran
SMILESCC(C)C1(C(C)C)C=CSCC1
InChIInChI=1S/C11H20S/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyKUHVPSXCUROQFB-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.94
Rot. Bonds2

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

4,4-di(propan-2-yl)-2,3-dihydrothiopyran (PubChem CID 58055974) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 4,4-di(propan-2-yl)-2,3-dihydrothiopyran.

Molecular Properties

Compound Name4,4-di(propan-2-yl)-2,3-dihydrothiopyran
PubChem CID58055974
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4,4-di(propan-2-yl)-2,3-dihydrothiopyran
SMILESCC(C)C1(C(C)C)C=CSCC1
InChIInChI=1S/C11H20S/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3
InChIKeyKUHVPSXCUROQFB-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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Related Compounds

3-Ethenyl-3-methyl-4-prop-1-en-2-ylthiolane
CID 177866087
2,2-Ditert-butyl-3-ethenylthiirane
CID 12512288
2-(2-Ethyl-3,3-dimethylbutylidene)-1,3-dithiane
CID 134986525
2,2-ditert-butyl-3H-thiophene
CID 12386075
3,3-di(propan-2-yl)-2H-thiophene
CID 58055896
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
2,2-di(propan-2-yl)-3H-thiophene
CID 58055958
4-tert-butyl-3,4-dihydro-2H-thiopyran
CID 58408014
2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
CID 58469207
2,3-Di(propan-2-yl)-2,3-dihydrothiophene
CID 58469891
3-Methyl-3-propan-2-yl-2,4-dihydrothiopyran
CID 68060335
4-Methyl-4-propan-2-yl-2,3-dihydrothiopyran
CID 68060340

Frequently Asked Questions

What is the IUPAC name of 4,4-di(propan-2-yl)-2,3-dihydrothiopyran?
The IUPAC name of 4,4-di(propan-2-yl)-2,3-dihydrothiopyran (CID 58055974) is 4,4-di(propan-2-yl)-2,3-dihydrothiopyran.
What is the SMILES notation for 4,4-di(propan-2-yl)-2,3-dihydrothiopyran?
The canonical SMILES for 4,4-di(propan-2-yl)-2,3-dihydrothiopyran is CC(C)C1(C(C)C)C=CSCC1.
What is the InChIKey of 4,4-di(propan-2-yl)-2,3-dihydrothiopyran?
The InChIKey is KUHVPSXCUROQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-9(2)11(10(3)4)5-7-12-8-6-11/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 4,4-di(propan-2-yl)-2,3-dihydrothiopyran?
4,4-di(propan-2-yl)-2,3-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 4,4-di(propan-2-yl)-2,3-dihydrothiopyran is sourced from PubChem (CID 58055974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).