2-(1-adamantyl)-5-methylthiophene

C15H20S — CID 123921383

IUPAC2-(1-adamantyl)-5-methylthiophene
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H20S/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13H,4-9H2,1H3
InChIKeySAJQALLCVPACSI-UHFFFAOYSA-N
MW232.39 g/mol
LogP4.52
Rot. Bonds1

About 2-(1-adamantyl)-5-methylthiophene

2-(1-adamantyl)-5-methylthiophene (PubChem CID 123921383) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-(1-adamantyl)-5-methylthiophene.

Molecular Properties

Compound Name2-(1-adamantyl)-5-methylthiophene
PubChem CID123921383
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name2-(1-adamantyl)-5-methylthiophene
SMILESCc1ccc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H20S/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13H,4-9H2,1H3
InChIKeySAJQALLCVPACSI-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-5-methylthiophene?
The IUPAC name of 2-(1-adamantyl)-5-methylthiophene (CID 123921383) is 2-(1-adamantyl)-5-methylthiophene.
What is the SMILES notation for 2-(1-adamantyl)-5-methylthiophene?
The canonical SMILES for 2-(1-adamantyl)-5-methylthiophene is Cc1ccc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of 2-(1-adamantyl)-5-methylthiophene?
The InChIKey is SAJQALLCVPACSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S/c1-10-2-3-14(16-10)15-7-11-4-12(8-15)6-13(5-11)9-15/h2-3,11-13H,4-9H2,1H3.
What are the key properties of 2-(1-adamantyl)-5-methylthiophene?
2-(1-adamantyl)-5-methylthiophene has a molecular weight of 232.39 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-5-methylthiophene is sourced from PubChem (CID 123921383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).