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

Analyze 3,3-di(propan-2-yl)-2H-thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).