2-pent-1-ynyl-5-propan-2-ylthiophene

C12H16S — CID 129208121

IUPAC2-pent-1-ynyl-5-propan-2-ylthiophene
SMILESCCCC#Cc1ccc(C(C)C)s1
InChIInChI=1S/C12H16S/c1-4-5-6-7-11-8-9-12(13-11)10(2)3/h8-10H,4-5H2,1-3H3
InChIKeyJBRDNMFGVIAWPI-UHFFFAOYSA-N
MW192.33 g/mol
LogP4.02
Rot. Bonds2

About 2-pent-1-ynyl-5-propan-2-ylthiophene

2-pent-1-ynyl-5-propan-2-ylthiophene (PubChem CID 129208121) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 2-pent-1-ynyl-5-propan-2-ylthiophene.

Molecular Properties

Compound Name2-pent-1-ynyl-5-propan-2-ylthiophene
PubChem CID129208121
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name2-pent-1-ynyl-5-propan-2-ylthiophene
SMILESCCCC#Cc1ccc(C(C)C)s1
InChIInChI=1S/C12H16S/c1-4-5-6-7-11-8-9-12(13-11)10(2)3/h8-10H,4-5H2,1-3H3
InChIKeyJBRDNMFGVIAWPI-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pent-1-ynyl-5-propan-2-ylthiophene?
The IUPAC name of 2-pent-1-ynyl-5-propan-2-ylthiophene (CID 129208121) is 2-pent-1-ynyl-5-propan-2-ylthiophene.
What is the SMILES notation for 2-pent-1-ynyl-5-propan-2-ylthiophene?
The canonical SMILES for 2-pent-1-ynyl-5-propan-2-ylthiophene is CCCC#Cc1ccc(C(C)C)s1.
What is the InChIKey of 2-pent-1-ynyl-5-propan-2-ylthiophene?
The InChIKey is JBRDNMFGVIAWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-4-5-6-7-11-8-9-12(13-11)10(2)3/h8-10H,4-5H2,1-3H3.
What are the key properties of 2-pent-1-ynyl-5-propan-2-ylthiophene?
2-pent-1-ynyl-5-propan-2-ylthiophene has a molecular weight of 192.33 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-ynyl-5-propan-2-ylthiophene is sourced from PubChem (CID 129208121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).