2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene

C17H24S2 — CID 129169436

IUPAC2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
SMILESCCCCC(CC)c1ccc(C(C)c2cccs2)s1
InChIInChI=1S/C17H24S2/c1-4-6-8-14(5-2)17-11-10-16(19-17)13(3)15-9-7-12-18-15/h7,9-14H,4-6,8H2,1-3H3
InChIKeyOUQHFIMWEABKSL-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.65
Rot. Bonds7

About 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene

2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene (PubChem CID 129169436) has the molecular formula C17H24S2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
PubChem CID129169436
Molecular FormulaC17H24S2
Molecular Weight292.51 g/mol
Exact Mass292.13
IUPAC Name2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
SMILESCCCCC(CC)c1ccc(C(C)c2cccs2)s1
InChIInChI=1S/C17H24S2/c1-4-6-8-14(5-2)17-11-10-16(19-17)13(3)15-9-7-12-18-15/h7,9-14H,4-6,8H2,1-3H3
InChIKeyOUQHFIMWEABKSL-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene?
The IUPAC name of 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene (CID 129169436) is 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene.
What is the SMILES notation for 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene?
The canonical SMILES for 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene is CCCCC(CC)c1ccc(C(C)c2cccs2)s1.
What is the InChIKey of 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene?
The InChIKey is OUQHFIMWEABKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24S2/c1-4-6-8-14(5-2)17-11-10-16(19-17)13(3)15-9-7-12-18-15/h7,9-14H,4-6,8H2,1-3H3.
What are the key properties of 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene?
2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene has a molecular weight of 292.51 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene is sourced from PubChem (CID 129169436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).