3,3-di(propan-2-yl)-2H-thiophene

C10H18S — CID 58055896

IUPAC3,3-di(propan-2-yl)-2H-thiophene
SMILESCC(C)C1(C(C)C)C=CSC1
InChIInChI=1S/C10H18S/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3
InChIKeyULXNMYLCUQABEI-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.55
Rot. Bonds2

About 3,3-di(propan-2-yl)-2H-thiophene

3,3-di(propan-2-yl)-2H-thiophene (PubChem CID 58055896) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3,3-di(propan-2-yl)-2H-thiophene.

Molecular Properties

Compound Name3,3-di(propan-2-yl)-2H-thiophene
PubChem CID58055896
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3,3-di(propan-2-yl)-2H-thiophene
SMILESCC(C)C1(C(C)C)C=CSC1
InChIInChI=1S/C10H18S/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3
InChIKeyULXNMYLCUQABEI-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethenyl-3-methyl-4-prop-1-en-2-ylthiolane
CID 177866087
2,2-Ditert-butyl-3-ethenylthiirane
CID 12512288
2-(2-Ethyl-3,3-dimethylbutylidene)-1,3-dithiane
CID 134986525
2-(2-Methylbut-3-en-2-yl)thiolane
CID 21573817
2,2-ditert-butyl-3H-thiophene
CID 12386075
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
3,3-Di(propan-2-yl)-2,4-dihydrothiopyran
CID 58055924
2,2-di(propan-2-yl)-3H-thiophene
CID 58055958
4,4-Di(propan-2-yl)-2,3-dihydrothiopyran
CID 58055974
2-Tert-butyl-2,3-dihydrothiophene
CID 58312073
3-Tert-butyl-2,3-dihydrothiophene
CID 58312076
4-tert-butyl-3,4-dihydro-2H-thiopyran
CID 58408014

Frequently Asked Questions

What is the IUPAC name of 3,3-di(propan-2-yl)-2H-thiophene?
The IUPAC name of 3,3-di(propan-2-yl)-2H-thiophene (CID 58055896) is 3,3-di(propan-2-yl)-2H-thiophene.
What is the SMILES notation for 3,3-di(propan-2-yl)-2H-thiophene?
The canonical SMILES for 3,3-di(propan-2-yl)-2H-thiophene is CC(C)C1(C(C)C)C=CSC1.
What is the InChIKey of 3,3-di(propan-2-yl)-2H-thiophene?
The InChIKey is ULXNMYLCUQABEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)10(9(3)4)5-6-11-7-10/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3,3-di(propan-2-yl)-2H-thiophene?
3,3-di(propan-2-yl)-2H-thiophene has a molecular weight of 170.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(propan-2-yl)-2H-thiophene is sourced from PubChem (CID 58055896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).