2,2-di(propan-2-yl)thiopyran

C11H18S — CID 58055878

IUPAC2,2-di(propan-2-yl)thiopyran
SMILESCC(C)C1(C(C)C)C=CC=CS1
InChIInChI=1S/C11H18S/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10H,1-4H3
InChIKeyJXBPXSWUYSXNMO-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.85
Rot. Bonds2

About 2,2-di(propan-2-yl)thiopyran

2,2-di(propan-2-yl)thiopyran (PubChem CID 58055878) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)thiopyran.

Molecular Properties

Compound Name2,2-di(propan-2-yl)thiopyran
PubChem CID58055878
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2,2-di(propan-2-yl)thiopyran
SMILESCC(C)C1(C(C)C)C=CC=CS1
InChIInChI=1S/C11H18S/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10H,1-4H3
InChIKeyJXBPXSWUYSXNMO-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)thiopyran?
The IUPAC name of 2,2-di(propan-2-yl)thiopyran (CID 58055878) is 2,2-di(propan-2-yl)thiopyran.
What is the SMILES notation for 2,2-di(propan-2-yl)thiopyran?
The canonical SMILES for 2,2-di(propan-2-yl)thiopyran is CC(C)C1(C(C)C)C=CC=CS1.
What is the InChIKey of 2,2-di(propan-2-yl)thiopyran?
The InChIKey is JXBPXSWUYSXNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-9(2)11(10(3)4)7-5-6-8-12-11/h5-10H,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)thiopyran?
2,2-di(propan-2-yl)thiopyran has a molecular weight of 182.33 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)thiopyran is sourced from PubChem (CID 58055878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).