2-tert-butyl-5-methyl-2,3-dihydrothiophene

C9H16S — CID 66656604

IUPAC2-tert-butyl-5-methyl-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)(C)C)S1
InChIInChI=1S/C9H16S/c1-7-5-6-8(10-7)9(2,3)4/h5,8H,6H2,1-4H3
InChIKeyDGULWONKEXMJQI-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds

About 2-tert-butyl-5-methyl-2,3-dihydrothiophene

2-tert-butyl-5-methyl-2,3-dihydrothiophene (PubChem CID 66656604) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-2,3-dihydrothiophene
PubChem CID66656604
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2-tert-butyl-5-methyl-2,3-dihydrothiophene
SMILESCC1=CCC(C(C)(C)C)S1
InChIInChI=1S/C9H16S/c1-7-5-6-8(10-7)9(2,3)4/h5,8H,6H2,1-4H3
InChIKeyDGULWONKEXMJQI-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butyl-2,3-dihydrothiophen-5-yl)ethanol
CID 145005841
4-(5-methyl-2,3-dihydrothiophen-2-yl)pyridine
CID 70337804
2-(5-methyl-2,3-dihydrothiophen-2-yl)thiophene
CID 148641519
5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
CID 142853618
N-ethyl-5-methyl-2,3-dihydrothiophene-2-carboxamide
CID 145478837
7,8-ditert-butylbicyclo[2.2.2]octa-1,3,5-triene
CID 148801538
(2R)-2-(3-iodophenyl)-5-methyl-2,3-dihydrothiophene
CID 130391151
7-(5-methyl-2,3-dihydrothiophen-2-yl)cyclohepta-1,4,6-trien-1-amine
CID 155032373
5-bromo-2-tert-butyl-7-methyl-3,4-dihydro-2H-1,4-benzothiazine
CID 84644577
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
5-tert-butylthiolan-2-imine
CID 19799650
3-[(2-tert-butyl-2,3-dihydrothiophen-5-yl)methyl]-4-[1-[5-(2-methylbutan-2-yl)thiophen-2-yl]prop-1-enyl]-1,2,5-thiadiazole
CID 91606470

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-2,3-dihydrothiophene?
The IUPAC name of 2-tert-butyl-5-methyl-2,3-dihydrothiophene (CID 66656604) is 2-tert-butyl-5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-tert-butyl-5-methyl-2,3-dihydrothiophene?
The canonical SMILES for 2-tert-butyl-5-methyl-2,3-dihydrothiophene is CC1=CCC(C(C)(C)C)S1.
What is the InChIKey of 2-tert-butyl-5-methyl-2,3-dihydrothiophene?
The InChIKey is DGULWONKEXMJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7-5-6-8(10-7)9(2,3)4/h5,8H,6H2,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-2,3-dihydrothiophene?
2-tert-butyl-5-methyl-2,3-dihydrothiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 66656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).