2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene

C19H26S — CID 88505006

IUPAC2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
SMILESCC(C)(C)CCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C19H26S/c1-19(2,3)15-14-18-13-12-17(20-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14-15H2,1-3H3
InChIKeyQBRGWXOSXVBWCF-UHFFFAOYSA-N
MW286.48 g/mol
LogP5.90
Rot. Bonds6

About 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene

2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene (PubChem CID 88505006) has the molecular formula C19H26S and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
PubChem CID88505006
Molecular FormulaC19H26S
Molecular Weight286.48 g/mol
Exact Mass286.18
IUPAC Name2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene
SMILESCC(C)(C)CCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C19H26S/c1-19(2,3)15-14-18-13-12-17(20-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14-15H2,1-3H3
InChIKeyQBRGWXOSXVBWCF-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.48
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
27,27-dimethyloctacosylbenzene
CID 140589361
3,3-dimethyl-5-[5-(3-phenylpropyl)thiophen-2-yl]-1-piperidin-1-ylpentan-1-one
CID 10715845
2-phenyl-5-(3-phenylpropyl)thiophene
CID 15666584
2-iodo-5-(4-phenylbutyl)thiophene
CID 142912255
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
CID 15667483
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
2-(4,4-dimethylpentylsulfanyl)ethylbenzene
CID 66794425
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
(4S)-4-amino-3,3-dimethyl-5-oxo-5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoic acid
CID 67925611

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene?
The IUPAC name of 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene (CID 88505006) is 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene?
The canonical SMILES for 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene is CC(C)(C)CCc1ccc(CCCc2ccccc2)s1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene?
The InChIKey is QBRGWXOSXVBWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26S/c1-19(2,3)15-14-18-13-12-17(20-18)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-13H,7,10-11,14-15H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene?
2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene has a molecular weight of 286.48 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-5-(3-phenylpropyl)thiophene is sourced from PubChem (CID 88505006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).