(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene

C16H16S2 — CID 10683634

IUPAC(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
SMILESCC1C/C(=C2/CC(C)c3ccsc32)c2sccc21
InChIInChI=1S/C16H16S2/c1-9-7-13(15-11(9)3-5-17-15)14-8-10(2)12-4-6-18-16(12)14/h3-6,9-10H,7-8H2,1-2H3/b14-13+
InChIKeyYTYKWQQRPSILSH-BUHFOSPRSA-N
MW272.44 g/mol
LogP5.73
Rot. Bonds

About (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene

(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene (PubChem CID 10683634) has the molecular formula C16H16S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
PubChem CID10683634
Molecular FormulaC16H16S2
Molecular Weight272.44 g/mol
Exact Mass272.07
IUPAC Name(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene
SMILESCC1C/C(=C2/CC(C)c3ccsc32)c2sccc21
InChIInChI=1S/C16H16S2/c1-9-7-13(15-11(9)3-5-17-15)14-8-10(2)12-4-6-18-16(12)14/h3-6,9-10H,7-8H2,1-2H3/b14-13+
InChIKeyYTYKWQQRPSILSH-BUHFOSPRSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The IUPAC name of (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene (CID 10683634) is (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The canonical SMILES for (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene is CC1C/C(=C2/CC(C)c3ccsc32)c2sccc21.
What is the InChIKey of (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
The InChIKey is YTYKWQQRPSILSH-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H16S2/c1-9-7-13(15-11(9)3-5-17-15)14-8-10(2)12-4-6-18-16(12)14/h3-6,9-10H,7-8H2,1-2H3/b14-13+.
What are the key properties of (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene?
(6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene has a molecular weight of 272.44 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-methyl-6-(4-methyl-4,5-dihydrocyclopenta[b]thiophen-6-ylidene)-4,5-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 10683634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).