2-ethenyl-3-tetradecylthiophene

C20H34S — CID 150440528

IUPAC2-ethenyl-3-tetradecylthiophene
SMILESC=Cc1sccc1CCCCCCCCCCCCCC
InChIInChI=1S/C20H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-21-20(19)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyHLRDZLZNALCMSP-UHFFFAOYSA-N
MW306.56 g/mol
LogP7.63
Rot. Bonds14

About 2-ethenyl-3-tetradecylthiophene

2-ethenyl-3-tetradecylthiophene (PubChem CID 150440528) has the molecular formula C20H34S and a molecular weight of 306.56 g/mol. Its IUPAC name is 2-ethenyl-3-tetradecylthiophene.

Molecular Properties

Compound Name2-ethenyl-3-tetradecylthiophene
PubChem CID150440528
Molecular FormulaC20H34S
Molecular Weight306.56 g/mol
Exact Mass306.24
IUPAC Name2-ethenyl-3-tetradecylthiophene
SMILESC=Cc1sccc1CCCCCCCCCCCCCC
InChIInChI=1S/C20H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-21-20(19)4-2/h4,17-18H,2-3,5-16H2,1H3
InChIKeyHLRDZLZNALCMSP-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.56
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-ethenyl-3-tetradecylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
2,3-didodecylthiophene
CID 66897470
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2-ethenyl-3-hexoxythiophene
CID 175087777
2-bromo-3-icosylthiophene
CID 141267982
(3-nonylthiophen-2-yl)phosphane
CID 21095664
2-bromo-3-dodecylthiophene
CID 10426816
2-bromo-3-hexyl-5-[(E)-2-(3-hexylthiophen-2-yl)ethenyl]thiophene
CID 122364865
3-dodecylthiophene-2-sulfonamide
CID 154311081
1,3-didecyl-2-ethenylbenzene
CID 10572118
S-[3-(3-hexylthiophen-2-yl)prop-2-enyl] ethanethioate
CID 169457695

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-tetradecylthiophene?
The IUPAC name of 2-ethenyl-3-tetradecylthiophene (CID 150440528) is 2-ethenyl-3-tetradecylthiophene.
What is the SMILES notation for 2-ethenyl-3-tetradecylthiophene?
The canonical SMILES for 2-ethenyl-3-tetradecylthiophene is C=Cc1sccc1CCCCCCCCCCCCCC.
What is the InChIKey of 2-ethenyl-3-tetradecylthiophene?
The InChIKey is HLRDZLZNALCMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-21-20(19)4-2/h4,17-18H,2-3,5-16H2,1H3.
What are the key properties of 2-ethenyl-3-tetradecylthiophene?
2-ethenyl-3-tetradecylthiophene has a molecular weight of 306.56 g/mol, XLogP of 7.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-tetradecylthiophene is sourced from PubChem (CID 150440528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).