2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran

C10H18S — CID 59945016

IUPAC2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran
SMILESCC1=C(C)C(C)C(C)C(C)S1
InChIInChI=1S/C10H18S/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7,9H,1-5H3
InChIKeyQLOALQLLEOSBIH-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.69
Rot. Bonds

About 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran

2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran (PubChem CID 59945016) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran
PubChem CID59945016
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran
SMILESCC1=C(C)C(C)C(C)C(C)S1
InChIInChI=1S/C10H18S/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7,9H,1-5H3
InChIKeyQLOALQLLEOSBIH-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 134128395
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3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
1-Butyl-2-butylsulfanyl-3-methyl-6-propan-2-ylcyclohexene
CID 12627278
3-Methyl-1,4,5,6,7,7a-hexahydro-benzo[c]thiophene
CID 14026315
5-Isopropenyl-2-methyl-1,3-di(ethylthio)-cyclohex-1-ene
CID 129819438
3,4,5,6-Tetramethyl-6-methylsulfanyl-2,5-dihydrothiopyran
CID 134919707
(2R,3R)-2-[(E)-pent-1-enyl]-3-prop-1-en-2-ylthiane
CID 134945717
3,4,5-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988752
2,3,4-Trimethyl-6-methylsulfanyl-6-propan-2-yl-2,5-dihydrothiopyran
CID 134988798
7,8-Dimethyl-5-thiaspiro[3.5]non-7-ene
CID 146167573
2,6-Dimethyl-8-propan-2-ylsulfanyloct-2-ene
CID 14689106

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran (CID 59945016) is 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran is CC1=C(C)C(C)C(C)C(C)S1.
What is the InChIKey of 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran?
The InChIKey is QLOALQLLEOSBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-6-7(2)9(4)11-10(5)8(6)3/h6-7,9H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran?
2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran has a molecular weight of 170.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 59945016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).