3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene

C11H18S — CID 163542624

IUPAC3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene
SMILESCC1(C)CC2=CSC(C)(C)C2C1
InChIInChI=1S/C11H18S/c1-10(2)5-8-7-12-11(3,4)9(8)6-10/h7,9H,5-6H2,1-4H3
InChIKeyFCJQVSJAMJZBAN-UHFFFAOYSA-N
MW182.33 g/mol
LogP3.83
Rot. Bonds

About 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene

3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene (PubChem CID 163542624) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene
PubChem CID163542624
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene
SMILESCC1(C)CC2=CSC(C)(C)C2C1
InChIInChI=1S/C11H18S/c1-10(2)5-8-7-12-11(3,4)9(8)6-10/h7,9H,5-6H2,1-4H3
InChIKeyFCJQVSJAMJZBAN-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene?
The IUPAC name of 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene (CID 163542624) is 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene.
What is the SMILES notation for 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene?
The canonical SMILES for 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene is CC1(C)CC2=CSC(C)(C)C2C1.
What is the InChIKey of 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene?
The InChIKey is FCJQVSJAMJZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-10(2)5-8-7-12-11(3,4)9(8)6-10/h7,9H,5-6H2,1-4H3.
What are the key properties of 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene?
3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene has a molecular weight of 182.33 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-4,6-dihydro-3aH-cyclopenta[c]thiophene is sourced from PubChem (CID 163542624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).