5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene

C12H18S — CID 89070441

IUPAC5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene
SMILESCC(C)c1cc2c(s1)CC(C)(C)C2
InChIInChI=1S/C12H18S/c1-8(2)10-5-9-6-12(3,4)7-11(9)13-10/h5,8H,6-7H2,1-4H3
InChIKeyQEKCCRFAUAIDDX-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.00
Rot. Bonds1

About 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene

5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene (PubChem CID 89070441) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene
PubChem CID89070441
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene
SMILESCC(C)c1cc2c(s1)CC(C)(C)C2
InChIInChI=1S/C12H18S/c1-8(2)10-5-9-6-12(3,4)7-11(9)13-10/h5,8H,6-7H2,1-4H3
InChIKeyQEKCCRFAUAIDDX-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene (CID 89070441) is 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene is CC(C)c1cc2c(s1)CC(C)(C)C2.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene?
The InChIKey is QEKCCRFAUAIDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-8(2)10-5-9-6-12(3,4)7-11(9)13-10/h5,8H,6-7H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene?
5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene has a molecular weight of 194.34 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-4,6-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 89070441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).