5-(2-methylpentan-2-yl)-1-benzothiophene

C14H18S — CID 134565390

IUPAC5-(2-methylpentan-2-yl)-1-benzothiophene
SMILESCCCC(C)(C)c1ccc2sccc2c1
InChIInChI=1S/C14H18S/c1-4-8-14(2,3)12-5-6-13-11(10-12)7-9-15-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyFCRREOAVFOGDRB-UHFFFAOYSA-N
MW218.37 g/mol
LogP4.98
Rot. Bonds3

About 5-(2-methylpentan-2-yl)-1-benzothiophene

5-(2-methylpentan-2-yl)-1-benzothiophene (PubChem CID 134565390) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 5-(2-methylpentan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name5-(2-methylpentan-2-yl)-1-benzothiophene
PubChem CID134565390
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name5-(2-methylpentan-2-yl)-1-benzothiophene
SMILESCCCC(C)(C)c1ccc2sccc2c1
InChIInChI=1S/C14H18S/c1-4-8-14(2,3)12-5-6-13-11(10-12)7-9-15-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyFCRREOAVFOGDRB-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-methylbutan-2-yl)-1-benzothiophene
CID 137451067
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
5-butoxy-1-benzothiophene
CID 23058090
3-(1-benzothiophen-6-yl)pentan-3-ol
CID 58731340
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
CID 130635680
5,6-ditert-butyl-1-benzothiophene
CID 58774764
3,10-ditert-butyl-7-(2-methylpentan-2-yl)phenoxazine
CID 70861911
N-(1-benzothiophen-5-yl)propane-1-sulfonamide
CID 60705280
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
5-bromo-1-benzothiophene
CID 2776578

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-2-yl)-1-benzothiophene?
The IUPAC name of 5-(2-methylpentan-2-yl)-1-benzothiophene (CID 134565390) is 5-(2-methylpentan-2-yl)-1-benzothiophene.
What is the SMILES notation for 5-(2-methylpentan-2-yl)-1-benzothiophene?
The canonical SMILES for 5-(2-methylpentan-2-yl)-1-benzothiophene is CCCC(C)(C)c1ccc2sccc2c1.
What is the InChIKey of 5-(2-methylpentan-2-yl)-1-benzothiophene?
The InChIKey is FCRREOAVFOGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-4-8-14(2,3)12-5-6-13-11(10-12)7-9-15-13/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 5-(2-methylpentan-2-yl)-1-benzothiophene?
5-(2-methylpentan-2-yl)-1-benzothiophene has a molecular weight of 218.37 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-2-yl)-1-benzothiophene is sourced from PubChem (CID 134565390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).