2,2-dimethyl-5-propan-2-yl-3H-thiophene

C9H16S — CID 163530795

IUPAC2,2-dimethyl-5-propan-2-yl-3H-thiophene
SMILESCC(C)C1=CCC(C)(C)S1
InChIInChI=1S/C9H16S/c1-7(2)8-5-6-9(3,4)10-8/h5,7H,6H2,1-4H3
InChIKeyDSVDUFNMWIBDKV-UHFFFAOYSA-N
MW156.29 g/mol
LogP3.44
Rot. Bonds1

About 2,2-dimethyl-5-propan-2-yl-3H-thiophene

2,2-dimethyl-5-propan-2-yl-3H-thiophene (PubChem CID 163530795) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 2,2-dimethyl-5-propan-2-yl-3H-thiophene.

Molecular Properties

Compound Name2,2-dimethyl-5-propan-2-yl-3H-thiophene
PubChem CID163530795
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name2,2-dimethyl-5-propan-2-yl-3H-thiophene
SMILESCC(C)C1=CCC(C)(C)S1
InChIInChI=1S/C9H16S/c1-7(2)8-5-6-9(3,4)10-8/h5,7H,6H2,1-4H3
InChIKeyDSVDUFNMWIBDKV-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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

2,2-dimethyl-3H-thiophen-5-amine
CID 146429928
2,2-dimethyl-6-propan-2-yl-1,4-thiazine
CID 123393749
(1R,2S)-1-methyl-4-propan-2-ylcyclohex-4-ene-1,2-diol
CID 101145214
4,4-dimethyl-1-propan-2-ylcyclohexene;ethane
CID 169162938
N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 134375617
(1R)-8a-methyl-4-methylidene-6-propan-2-yl-1,2,3,4a,5,8-hexahydronaphthalen-1-ol
CID 91751364
4-methoxy-4-methyl-1-propan-2-ylcyclohexene
CID 14113117
2,6-dimethyl-2,5-di(propan-2-yl)-3H-pyridine
CID 155036257
6-(3-methyl-2-propan-2-ylbut-1-enyl)spiro[2.5]oct-6-ene
CID 166139588
1,6,6-trimethyl-4,4-di(propan-2-yl)cyclohexene
CID 174871633
2,2,4,4,7-pentamethyl-4a,5-dihydro-3H-thiochromene
CID 140974651
4,4,5,5-tetramethyl-2-propan-2-yl-6,7-dihydropyrazolo[1,5-a]pyridine
CID 168880235

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-propan-2-yl-3H-thiophene?
The IUPAC name of 2,2-dimethyl-5-propan-2-yl-3H-thiophene (CID 163530795) is 2,2-dimethyl-5-propan-2-yl-3H-thiophene.
What is the SMILES notation for 2,2-dimethyl-5-propan-2-yl-3H-thiophene?
The canonical SMILES for 2,2-dimethyl-5-propan-2-yl-3H-thiophene is CC(C)C1=CCC(C)(C)S1.
What is the InChIKey of 2,2-dimethyl-5-propan-2-yl-3H-thiophene?
The InChIKey is DSVDUFNMWIBDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-7(2)8-5-6-9(3,4)10-8/h5,7H,6H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-propan-2-yl-3H-thiophene?
2,2-dimethyl-5-propan-2-yl-3H-thiophene has a molecular weight of 156.29 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-propan-2-yl-3H-thiophene is sourced from PubChem (CID 163530795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).