2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol

C13H20OS — CID 58540091

IUPAC2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCC(C)(C)c1cc2c(s1)CC(C)(C)C2O
InChIInChI=1S/C13H20OS/c1-12(2,3)10-6-8-9(15-10)7-13(4,5)11(8)14/h6,11,14H,7H2,1-5H3
InChIKeyDVYSRKVSQFTFBL-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.66
Rot. Bonds

About 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol

2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol (PubChem CID 58540091) has the molecular formula C13H20OS and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol
PubChem CID58540091
Molecular FormulaC13H20OS
Molecular Weight224.37 g/mol
Exact Mass224.12
IUPAC Name2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol
SMILESCC(C)(C)c1cc2c(s1)CC(C)(C)C2O
InChIInChI=1S/C13H20OS/c1-12(2,3)10-6-8-9(15-10)7-13(4,5)11(8)14/h6,11,14H,7H2,1-5H3
InChIKeyDVYSRKVSQFTFBL-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol (CID 58540091) is 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol is CC(C)(C)c1cc2c(s1)CC(C)(C)C2O.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol?
The InChIKey is DVYSRKVSQFTFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OS/c1-12(2,3)10-6-8-9(15-10)7-13(4,5)11(8)14/h6,11,14H,7H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol?
2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol has a molecular weight of 224.37 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 58540091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).