2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran

C16H28S — CID 91233425

IUPAC2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran
SMILESCCC(C)(C)C1=CCC=C(C(C)(CC)CC)S1
InChIInChI=1S/C16H28S/c1-7-15(4,5)13-11-10-12-14(17-13)16(6,8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeyGFVIQTWRCSVALL-UHFFFAOYSA-N
MW252.47 g/mol
LogP6.15
Rot. Bonds5

About 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran

2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran (PubChem CID 91233425) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran
PubChem CID91233425
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran
SMILESCCC(C)(C)C1=CCC=C(C(C)(CC)CC)S1
InChIInChI=1S/C16H28S/c1-7-15(4,5)13-11-10-12-14(17-13)16(6,8-2)9-3/h11-12H,7-10H2,1-6H3
InChIKeyGFVIQTWRCSVALL-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(5,5-dimethyl-3-thioxo-1-cyclohexenyl) sulfide
CID 15420836
4-Ethyl-2,4,6-trimethylthiopyran
CID 91065986
2-(2-methylbutan-2-yl)-6-(3-methylhept-5-en-3-yl)-4H-thiopyran
CID 91110333
(5Z)-3-ethyl-3,4,4-trimethyl-5-methylsulfanyl-2-prop-1-en-2-ylsulfanylhepta-1,5-diene
CID 118347437
4-Methyl-4-(2-methylprop-1-enyl)thiane
CID 123688341
(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene
CID 130390469
6-Ethyl-3,6-dimethyl-1-prop-1-en-2-ylsulfanylcyclohexa-1,3-diene
CID 134444761
6-(2-methylbutan-2-yl)-3,4-dihydro-2H-thiopyran
CID 145570753
2-Tert-butylsulfanyl-3-(3,3-dimethylbut-1-en-2-yl)cyclohexa-1,3-diene
CID 146397275
Ethane;2,3,3,6-tetramethyl-2,4-dihydrothiopyran
CID 153547526
5-(3-Methylpentan-3-yl)-2,3-dihydrothiophene
CID 156099278
2,5-ditert-butyl-2,3-dimethyl-3H-thiophene
CID 163736354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran?
The IUPAC name of 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran (CID 91233425) is 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran?
The canonical SMILES for 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran is CCC(C)(C)C1=CCC=C(C(C)(CC)CC)S1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran?
The InChIKey is GFVIQTWRCSVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28S/c1-7-15(4,5)13-11-10-12-14(17-13)16(6,8-2)9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran?
2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran has a molecular weight of 252.47 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-6-(3-methylpentan-3-yl)-4H-thiopyran is sourced from PubChem (CID 91233425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).