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

C10H18S — CID 58055958

IUPAC2,2-di(propan-2-yl)-3H-thiophene
SMILESCC(C)C1(C(C)C)CC=CS1
InChIInChI=1S/C10H18S/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3
InChIKeyDCCIEFDGCAQVQJ-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.69
Rot. Bonds2

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

2,2-di(propan-2-yl)-3H-thiophene (PubChem CID 58055958) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,2-di(propan-2-yl)-3H-thiophene.

Molecular Properties

Compound Name2,2-di(propan-2-yl)-3H-thiophene
PubChem CID58055958
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,2-di(propan-2-yl)-3H-thiophene
SMILESCC(C)C1(C(C)C)CC=CS1
InChIInChI=1S/C10H18S/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3
InChIKeyDCCIEFDGCAQVQJ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(propan-2-yl)-3H-thiophene?
The IUPAC name of 2,2-di(propan-2-yl)-3H-thiophene (CID 58055958) is 2,2-di(propan-2-yl)-3H-thiophene.
What is the SMILES notation for 2,2-di(propan-2-yl)-3H-thiophene?
The canonical SMILES for 2,2-di(propan-2-yl)-3H-thiophene is CC(C)C1(C(C)C)CC=CS1.
What is the InChIKey of 2,2-di(propan-2-yl)-3H-thiophene?
The InChIKey is DCCIEFDGCAQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-8(2)10(9(3)4)6-5-7-11-10/h5,7-9H,6H2,1-4H3.
What are the key properties of 2,2-di(propan-2-yl)-3H-thiophene?
2,2-di(propan-2-yl)-3H-thiophene has a molecular weight of 170.32 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(propan-2-yl)-3H-thiophene is sourced from PubChem (CID 58055958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).