ethane;2-(2-methylbutan-2-yl)thiophene

C11H20S — CID 142062871

IUPACethane;2-(2-methylbutan-2-yl)thiophene
SMILESCC.CCC(C)(C)c1cccs1
InChIInChI=1S/C9H14S.C2H6/c1-4-9(2,3)8-6-5-7-10-8;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyNEINXRDYDPSYSV-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.46
Rot. Bonds2

About ethane;2-(2-methylbutan-2-yl)thiophene

ethane;2-(2-methylbutan-2-yl)thiophene (PubChem CID 142062871) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is ethane;2-(2-methylbutan-2-yl)thiophene.

Molecular Properties

Compound Nameethane;2-(2-methylbutan-2-yl)thiophene
PubChem CID142062871
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Nameethane;2-(2-methylbutan-2-yl)thiophene
SMILESCC.CCC(C)(C)c1cccs1
InChIInChI=1S/C9H14S.C2H6/c1-4-9(2,3)8-6-5-7-10-8;1-2/h5-7H,4H2,1-3H3;1-2H3
InChIKeyNEINXRDYDPSYSV-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-(1-chloro-2-methylpropan-2-yl)thiophene
CID 154107468
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
1-thiophen-2-ylpropane-1,1-dithiol
CID 154261412
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 129214307
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
CID 80527625
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-(1,1-dichloroethyl)thiophene
CID 12555703
2-tert-butylthiophene;methanamine
CID 143976463
(2R)-2-amino-2-thiophen-2-ylbutan-1-ol
CID 55274112

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylbutan-2-yl)thiophene?
The IUPAC name of ethane;2-(2-methylbutan-2-yl)thiophene (CID 142062871) is ethane;2-(2-methylbutan-2-yl)thiophene.
What is the SMILES notation for ethane;2-(2-methylbutan-2-yl)thiophene?
The canonical SMILES for ethane;2-(2-methylbutan-2-yl)thiophene is CC.CCC(C)(C)c1cccs1.
What is the InChIKey of ethane;2-(2-methylbutan-2-yl)thiophene?
The InChIKey is NEINXRDYDPSYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14S.C2H6/c1-4-9(2,3)8-6-5-7-10-8;1-2/h5-7H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-methylbutan-2-yl)thiophene?
ethane;2-(2-methylbutan-2-yl)thiophene has a molecular weight of 184.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylbutan-2-yl)thiophene is sourced from PubChem (CID 142062871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).