4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane

C19H34S — CID 142603215

IUPAC4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane
SMILESCCC1CCc2scc(C)c21.CCCCCCCCC
InChIInChI=1S/C10H14S.C9H20/c1-3-8-4-5-9-10(8)7(2)6-11-9;1-3-5-7-9-8-6-4-2/h6,8H,3-5H2,1-2H3;3-9H2,1-2H3
InChIKeySIGVWGDIMPRUIZ-UHFFFAOYSA-N
MW294.55 g/mol
LogP7.25
Rot. Bonds7

About 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane

4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane (PubChem CID 142603215) has the molecular formula C19H34S and a molecular weight of 294.55 g/mol. Its IUPAC name is 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane.

Molecular Properties

Compound Name4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane
PubChem CID142603215
Molecular FormulaC19H34S
Molecular Weight294.55 g/mol
Exact Mass294.24
IUPAC Name4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane
SMILESCCC1CCc2scc(C)c21.CCCCCCCCC
InChIInChI=1S/C10H14S.C9H20/c1-3-8-4-5-9-10(8)7(2)6-11-9;1-3-5-7-9-8-6-4-2/h6,8H,3-5H2,1-2H3;3-9H2,1-2H3
InChIKeySIGVWGDIMPRUIZ-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane?
The IUPAC name of 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane (CID 142603215) is 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane.
What is the SMILES notation for 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane?
The canonical SMILES for 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane is CCC1CCc2scc(C)c21.CCCCCCCCC.
What is the InChIKey of 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane?
The InChIKey is SIGVWGDIMPRUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.C9H20/c1-3-8-4-5-9-10(8)7(2)6-11-9;1-3-5-7-9-8-6-4-2/h6,8H,3-5H2,1-2H3;3-9H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane?
4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane has a molecular weight of 294.55 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene;nonane is sourced from PubChem (CID 142603215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).