2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene

C23H28S — CID 175286693

IUPAC2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
SMILESCCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3
InChIKeySGAPJWODALKXRK-UHFFFAOYSA-N
MW336.54 g/mol
LogP7.72
Rot. Bonds8

About 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene

2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene (PubChem CID 175286693) has the molecular formula C23H28S and a molecular weight of 336.54 g/mol. Its IUPAC name is 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene.

Molecular Properties

Compound Name2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
PubChem CID175286693
Molecular FormulaC23H28S
Molecular Weight336.54 g/mol
Exact Mass336.19
IUPAC Name2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene
SMILESCCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1
InChIInChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3
InChIKeySGAPJWODALKXRK-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The IUPAC name of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene (CID 175286693) is 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene.
What is the SMILES notation for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The canonical SMILES for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene is CCCCC(CC)CCc1ccc(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
The InChIKey is SGAPJWODALKXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S/c1-3-5-9-18(4-2)14-15-20-16-17-23(24-20)22-13-8-11-19-10-6-7-12-21(19)22/h6-8,10-13,16-18H,3-5,9,14-15H2,1-2H3.
What are the key properties of 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene?
2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene has a molecular weight of 336.54 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylheptyl)-5-naphthalen-1-ylthiophene is sourced from PubChem (CID 175286693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).