2-(2-methylpropyl)-5-prop-1-ynylthiophene

C11H14S — CID 155068654

IUPAC2-(2-methylpropyl)-5-prop-1-ynylthiophene
SMILESCC#Cc1ccc(CC(C)C)s1
InChIInChI=1S/C11H14S/c1-4-5-10-6-7-11(12-10)8-9(2)3/h6-7,9H,8H2,1-3H3
InChIKeyUBEANHJBSDTFKP-UHFFFAOYSA-N
MW178.30 g/mol
LogP3.32
Rot. Bonds2

About 2-(2-methylpropyl)-5-prop-1-ynylthiophene

2-(2-methylpropyl)-5-prop-1-ynylthiophene (PubChem CID 155068654) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-prop-1-ynylthiophene.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-prop-1-ynylthiophene
PubChem CID155068654
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2-(2-methylpropyl)-5-prop-1-ynylthiophene
SMILESCC#Cc1ccc(CC(C)C)s1
InChIInChI=1S/C11H14S/c1-4-5-10-6-7-11(12-10)8-9(2)3/h6-7,9H,8H2,1-3H3
InChIKeyUBEANHJBSDTFKP-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbut-1-ynyl)-5-(2-methylpropyl)thiophene
CID 59470907
1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
CID 143305201
2-methyl-2-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dioxolane
CID 83957723
2-(3-methylhept-4-yn-2-yl)-5-(2-methylpropyl)thiophene
CID 83929700
3-methyl-3-[5-(2-methylpropyl)thiophen-2-yl]butan-2-ol
CID 135209412
2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
CID 169286654
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
5-(5-prop-1-ynylthiophen-2-yl)thiophen-2-ol
CID 46842527
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
3-[5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 62777446
2-methyl-3-[2-[5-(2-methylpropyl)thiophen-2-yl]propyl]oxirane
CID 83929719
3-[5-[(2-methylpropylsulfamoylamino)methyl]thiophen-2-yl]prop-2-yn-1-ol
CID 114816459

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-prop-1-ynylthiophene?
The IUPAC name of 2-(2-methylpropyl)-5-prop-1-ynylthiophene (CID 155068654) is 2-(2-methylpropyl)-5-prop-1-ynylthiophene.
What is the SMILES notation for 2-(2-methylpropyl)-5-prop-1-ynylthiophene?
The canonical SMILES for 2-(2-methylpropyl)-5-prop-1-ynylthiophene is CC#Cc1ccc(CC(C)C)s1.
What is the InChIKey of 2-(2-methylpropyl)-5-prop-1-ynylthiophene?
The InChIKey is UBEANHJBSDTFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S/c1-4-5-10-6-7-11(12-10)8-9(2)3/h6-7,9H,8H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-5-prop-1-ynylthiophene?
2-(2-methylpropyl)-5-prop-1-ynylthiophene has a molecular weight of 178.30 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-prop-1-ynylthiophene is sourced from PubChem (CID 155068654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).