1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene

C20H26S2 — CID 155400717

IUPAC1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESCc1sc(C)c2c1CCC2Cc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C20H26S2/c1-11(2)20-17(16-6-5-7-18(16)22-20)10-14-8-9-15-12(3)21-13(4)19(14)15/h11,14H,5-10H2,1-4H3
InChIKeyWAVWOYQEEZDTST-UHFFFAOYSA-N
MW330.56 g/mol
LogP6.31
Rot. Bonds3

About 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene

1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene (PubChem CID 155400717) has the molecular formula C20H26S2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene.

Molecular Properties

Compound Name1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene
PubChem CID155400717
Molecular FormulaC20H26S2
Molecular Weight330.56 g/mol
Exact Mass330.15
IUPAC Name1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene
SMILESCc1sc(C)c2c1CCC2Cc1c(C(C)C)sc2c1CCC2
InChIInChI=1S/C20H26S2/c1-11(2)20-17(16-6-5-7-18(16)22-20)10-14-8-9-15-12(3)21-13(4)19(14)15/h11,14H,5-10H2,1-4H3
InChIKeyWAVWOYQEEZDTST-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene?
The IUPAC name of 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene (CID 155400717) is 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene.
What is the SMILES notation for 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene?
The canonical SMILES for 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene is Cc1sc(C)c2c1CCC2Cc1c(C(C)C)sc2c1CCC2.
What is the InChIKey of 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene?
The InChIKey is WAVWOYQEEZDTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S2/c1-11(2)20-17(16-6-5-7-18(16)22-20)10-14-8-9-15-12(3)21-13(4)19(14)15/h11,14H,5-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene?
1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene has a molecular weight of 330.56 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]thiophene is sourced from PubChem (CID 155400717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).