(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol

C14H22OS — CID 101487840

IUPAC(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
SMILESCCCC[C@]1(O)C[C@@](C)(CC)c2sccc21
InChIInChI=1S/C14H22OS/c1-4-6-8-14(15)10-13(3,5-2)12-11(14)7-9-16-12/h7,9,15H,4-6,8,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyMFSQMIVFTRKCSV-KGLIPLIRSA-N
MW238.40 g/mol
LogP4.20
Rot. Bonds4

About (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol

(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol (PubChem CID 101487840) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol.

Molecular Properties

Compound Name(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
PubChem CID101487840
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
SMILESCCCC[C@]1(O)C[C@@](C)(CC)c2sccc21
InChIInChI=1S/C14H22OS/c1-4-6-8-14(15)10-13(3,5-2)12-11(14)7-9-16-12/h7,9,15H,4-6,8,10H2,1-3H3/t13-,14+/m1/s1
InChIKeyMFSQMIVFTRKCSV-KGLIPLIRSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6S)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol
CID 135017116
4-hydroxy-4-(2-methyl-phenyl)-4H-indeno[1,2-b]thiophene
CID 12773634
2-(2-Methylthiophen-3-yl)bicyclo[2.1.1]hexan-2-ol
CID 21051577
2-(3-Methylthiophen-2-yl)bicyclo[2.1.1]hexan-2-ol
CID 21051578
2,5-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
CID 21881000
2,4,5-Trimethyl-5,6-dihydrocyclopenta[b]thiophen-4-ol
CID 21881023
(4R,4aS,8aR)-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-indeno[1,2-b]thiophen-4-ol
CID 54759912
(4S,4aS,8aR)-4a,5,5,8a-tetramethyl-4,6,7,8-tetrahydroindeno[1,2-b]thiophen-4-ol
CID 54759913
7-Ethyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ol
CID 57879122
2-Tert-butyl-5,5-dimethyl-4,6-dihydrocyclopenta[b]thiophen-4-ol
CID 58540091
2-tert-butyl-5,6-dihydro-4H-cyclopenta[b]thiophen-4-ol
CID 58540110
1-Cyclopentyl-1-thiophen-2-ylethanol
CID 63220079

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol?
The IUPAC name of (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol (CID 101487840) is (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol.
What is the SMILES notation for (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol?
The canonical SMILES for (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol is CCCC[C@]1(O)C[C@@](C)(CC)c2sccc21.
What is the InChIKey of (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol?
The InChIKey is MFSQMIVFTRKCSV-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H22OS/c1-4-6-8-14(15)10-13(3,5-2)12-11(14)7-9-16-12/h7,9,15H,4-6,8,10H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol?
(4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol has a molecular weight of 238.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-butyl-6-ethyl-6-methyl-5H-cyclopenta[b]thiophen-4-ol is sourced from PubChem (CID 101487840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).