2-butyl-5-(4-hex-2-enoxyphenyl)thiophene

C20H26OS — CID 54517967

IUPAC2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
SMILESCCCC=CCOc1ccc(-c2ccc(CCCC)s2)cc1
InChIInChI=1S/C20H26OS/c1-3-5-7-8-16-21-18-12-10-17(11-13-18)20-15-14-19(22-20)9-6-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3
InChIKeyYNSQRCIVSOYOST-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.49
Rot. Bonds9

About 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene

2-butyl-5-(4-hex-2-enoxyphenyl)thiophene (PubChem CID 54517967) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene.

Molecular Properties

Compound Name2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
PubChem CID54517967
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name2-butyl-5-(4-hex-2-enoxyphenyl)thiophene
SMILESCCCC=CCOc1ccc(-c2ccc(CCCC)s2)cc1
InChIInChI=1S/C20H26OS/c1-3-5-7-8-16-21-18-12-10-17(11-13-18)20-15-14-19(22-20)9-6-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3
InChIKeyYNSQRCIVSOYOST-UHFFFAOYSA-N
XLogP6.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
CID 23432248
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
2-hexyl-5-(4-methoxyphenyl)thiophene
CID 70491963
2-[4-[(E)-hex-2-enoxy]phenyl]-5-propyl-1,3,4-thiadiazole
CID 23432245
2,5-bis[4-[(E)-hept-2-enoxy]phenyl]-1,3-thiazole
CID 23432308
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2,5-bis(4-but-2-enoxyphenyl)thiophene
CID 54197936
2-[4-(4-hept-2-enoxyphenyl)phenyl]-5-pentyl-1,3,4-thiadiazole
CID 54061444
4-(4-hex-2-enoxyphenyl)benzonitrile
CID 54202434
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
2,5-bis(4-hex-2-enoxyphenyl)-1,3-oxazole
CID 54384331
2-(4-octoxyphenyl)-5-[5-(4-octoxyphenyl)thiophen-2-yl]thiophene
CID 59027319

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene?
The IUPAC name of 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene (CID 54517967) is 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene.
What is the SMILES notation for 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene?
The canonical SMILES for 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene is CCCC=CCOc1ccc(-c2ccc(CCCC)s2)cc1.
What is the InChIKey of 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene?
The InChIKey is YNSQRCIVSOYOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c1-3-5-7-8-16-21-18-12-10-17(11-13-18)20-15-14-19(22-20)9-6-4-2/h7-8,10-15H,3-6,9,16H2,1-2H3.
What are the key properties of 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene?
2-butyl-5-(4-hex-2-enoxyphenyl)thiophene has a molecular weight of 314.49 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(4-hex-2-enoxyphenyl)thiophene is sourced from PubChem (CID 54517967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).