2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran

C10H18S — CID 126672746

IUPAC2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran
SMILESCC1=CCCC(C)(C(C)C)S1
InChIInChI=1S/C10H18S/c1-8(2)10(4)7-5-6-9(3)11-10/h6,8H,5,7H2,1-4H3
InChIKeySPDKEEPFYBEDJI-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.83
Rot. Bonds1

About 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran

2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran (PubChem CID 126672746) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran.

Molecular Properties

Compound Name2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran
PubChem CID126672746
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran
SMILESCC1=CCCC(C)(C(C)C)S1
InChIInChI=1S/C10H18S/c1-8(2)10(4)7-5-6-9(3)11-10/h6,8H,5,7H2,1-4H3
InChIKeySPDKEEPFYBEDJI-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran?
The IUPAC name of 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran (CID 126672746) is 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran.
What is the SMILES notation for 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran?
The canonical SMILES for 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran is CC1=CCCC(C)(C(C)C)S1.
What is the InChIKey of 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran?
The InChIKey is SPDKEEPFYBEDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)10(4)7-5-6-9(3)11-10/h6,8H,5,7H2,1-4H3.
What are the key properties of 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran?
2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran has a molecular weight of 170.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-propan-2-yl-3,4-dihydrothiopyran is sourced from PubChem (CID 126672746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).